(S)-(+)-2-Methylpiperazine - ≥99% , CAS No.74879-18-8

CAS: 74879-18-8 Cat. No.: M120020 Molecular Weight: 100.16 Beilstein Registry Number: 3647995 EC Number: 627-535-8

GRADE & PURITY ≥99%

Synonyms

2-(s)-methylpiperazine | 2(S)-methylpiperazine | (S)-2-Methylpiperazine | (S)-2-Methyl-Piperazine | S-(-)-2-Methylpiperazine | 2-(S)-methyl piperazine | 2(s)-methyl piperazine | (S)-(+)-2-Methylpiperazine | J-502319 | C5VI3S1YC0 | Piperazine, 2-methyl-, (

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Valuable synthon for quinoline antibacterials.

Specifications

Synonyms

2-(s)-methylpiperazine | 2(S)-methylpiperazine | (S)-2-Methylpiperazine | (S)-2-Methyl-Piperazine | S-(-)-2-Methylpiperazine | 2-(S)-methyl piperazine | 2(s)-methyl piperazine | (S)-(+)-2-Methylpiperazine | J-502319 | C5VI3S1YC0 | Piperazine, 2-methyl-, (

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1CNCCN1
• IUPAC Name: (2S)-2-methylpiperazine
• InChIKey: JOMNTHCQHJPVAZ-YFKPBYRVSA-N
• INCHI: 1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/t5-/m0/s1
• Isomeric SMILES: C[C@H]1CNCCN1
• WGK Germany: 3
• Molecular Weight: 100.16
• Beilstein: 3647995
• Reaxy-Rn: 383566
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383566&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
• 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

Chemical and Physical Properties

• Solubility: Solubility in water: Completely soluble; Soluble in Methanol
• Sensitivity: Air Sensitive and Hygroscopic
• Specific Rotation[α]: +7 (c=1 in ethanol)
• Flash Point(°F): 149 °F
• Flash Point(°C): 65°C
• Boil Point(°C): 155-156°C
• Melt Point(°C): 89-91°C
• Molecular Weight: 100.160 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.1 Da
• Monoisotopic Mass: 100.1 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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. Liu Cheng, Guo Ping, Lu Yan-Rui, Zhu Yu-Lan, Ran Xiao-Yan, Wang Bang-Jin, Zhang Jun-Hui, Xie Sheng-Ming, Yuan Li-Ming.  (2023)  In situ growth preparation of a new chiral covalent triazine framework core-shell microspheres used for HPLC enantioseparation.  MICROCHIMICA ACTA,  190  (6): (1-9).  [PMID:37222823] [10.1007/s00604-023-05806-y]

2. Luying Wang, Hui Peng, Qilin Wei, Linghang Kong, Shuiyue Yu, Jiajun Cao, Qihua Liang, Jialong Zhao, Bingsuo Zou.  (2024)  Finely Controlled Circularly Polarized Luminescence with Multimode Dynamic Response of Hybrid Metal Chlorides for Circularly Polarized White Light-Emitting Diode and Programmable Information Encryption.  Laser & Photonics Reviews,      [PMID:] [10.1002/lpor.202400856]

3. Shi-Zheng Liu, Wen-Jing Ding, Peng-Fei Li, Zhi-Lin Liao, Fang-Xin Zhao, Ren-Yan Bai, Man-Di Lu, Hui-Peng Lv, Xiao-Gang Chen, Yong Ai.  (2025)  Metal-Free Enantiomeric Organic Crystals for Piezoelectric Energy Harvesting.  ACS Applied Materials & Interfaces,      [PMID:40957716] [10.1021/acsami.5c15286]