1-(3-Aminopropyl)-4-methylpiperazine - ≥98% , CAS No.4572-03-6

CAS: 4572-03-6 Cat. No.: A303756 Molecular Weight: 157.26 EC Number: 224-954-4

GRADE & PURITY ≥98%

Synonyms

4-methyl-1-piperazinepropanamine | EINECS 224-954-4 | 3-(4-Methyl-piperazin-1-yl)-propylamine | 3-(4-methyl-piperazin-1-yl)--propylamine | 3-(4-Methylpiperazin-1-yl)propylamine | 3-(4-methylpiperazin-1-yl)-propylamine | NCIStruc1_000253

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

application：

1-(3-Aminopropyl)-4-methylpiperazine is used as a precursor in organic synthesis for the preparation of furan-2-carboxylic acid [3-(4-methyl-piperazin-1-yl)-propyl]-amide by reacting with furan-2-carbonyl chloride.

Specifications

Synonyms

4-methyl-1-piperazinepropanamine | EINECS 224-954-4 | 3-(4-Methyl-piperazin-1-yl)-propylamine | 3-(4-methyl-piperazin-1-yl)--propylamine | 3-(4-Methylpiperazin-1-yl)propylamine | 3-(4-methylpiperazin-1-yl)-propylamine | NCIStruc1_000253

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755270
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755270
• Canonical Smiles: CN1CCN(CC1)CCCN
• IUPAC Name: 3-(4-methylpiperazin-1-yl)propan-1-amine
• InChIKey: RGUABPVONIGVAT-UHFFFAOYSA-N
• INCHI: 1S/C8H19N3/c1-10-5-7-11(8-6-10)4-2-3-9/h2-9H2,1H3
• Isomeric SMILES: CN1CCN(CC1)CCCN
• Molecular Weight: 157.26
• Reaxy-Rn: 105964
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105964&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines
        • Level5 N-alkylpiperazines
          • Level6 N-methylpiperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: N-alkylpiperazines
• Direct Parent: N-methylpiperazines
• Alternative Parents: Trialkylamines Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-methylpiperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-methylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries a methyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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T47D (39041 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCT-116 (91556 Activities)

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Hs-578T (29457 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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LOX IMVI (44321 Activities)

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HOP-62 (47048 Activities)

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MDA-MB-435 (38290 Activities)

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Associated Targets(non-human)

Leishmania donovani (89745 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.4820
• Boil Point(°C): 113-114°/13mm
• Molecular Weight: 157.260 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 157.158 Da
• Monoisotopic Mass: 157.158 Da
• Topological Polar Surface Area: 32.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 97.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Zixu Liu, Linxuan Zhao, Yupeng Feng, Qingqing Wang, Nan Dong, Yu Zhang, Tian Yin, Haibing He, Xing Tang, Jingxin Gou, Li Yang.  (2023)  Dual-responsive PEG-lipid polyester nanoparticles for siRNA and vaccine delivery elicits anti-cancer immune responses by modulating tumor microenvironment.  Biomaterials Science,      [PMID:37608695] [10.1039/D3BM01265D]

2. Yucheng Liu, Shufeng Li, Liandong Feng, Hao Yu, Xiaoliang Qi, Wei Wei, Junjian Li, Wei Dong, Yucheng Liu, Shufeng Li, Liandong Feng, Hao Yu, Xiaoliang Qi, Wei Wei, Junjian Li, Wei Dong.  (2015)  Novel Disulfide-Containing Poly(β-amino ester)-Functionalised Magnetic Nanoparticles for Efficient Gene Delivery.  AUSTRALIAN JOURNAL OF CHEMISTRY,  69  (3): (349-356).  [PMID:] [10.1071/CH15293]

3. Xinlong Liu, Yimeng Li, Xinhua Liu, Yangyang Huang, Fujun Wang, Jiafeng Li, Yuqi Guo, Xinyuan Zhu, Lijuan Zhu, Chuan Zhang.  (2025)  GalNAc End-Capped Poly(β-amino ester)s with Screened Side Chains for Efficient Gene Delivery.  Small Methods,      [PMID:40025903] [10.1002/smtd.202401286]

4. Ziliang Li, Li Gao, Jie Liu, Wanting Chen, Xiangcun Li, Xuemei Wu, Xiaobin Jiang, Gaohong He, Xiaoming Yan.  (2024)  Intrinsic microporous poly(phenyl-alkane)s with pendent piperazinium for high performance anion exchange membrane fuel cells.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.122673]

5. Zheng Feng, Zhouzhan Luo.  (2024)  Therapeutic efficacy of CRISPR RNA nanoparticles on cervical cancer disease using ultrasound elastography imaging.  Journal of Radiation Research and Applied Sciences,      [PMID:] [10.1016/j.jrras.2024.101199]

6. Zhao Kai, Yan Yu, Jin Xiao-Kang, Pan Ting, Zhang Shi-Man, Yang Chi-Hui, Rao Zhi-Yong, Zhang Xian-Zheng.  (2025)  An orally administered gene editing nanoparticle boosts chemo-immunotherapy in colorectal cancer.  Nature Nanotechnology,      [PMID:40269250] [10.1038/s41565-025-01904-5]