3-(Dimethylamino)-1,2-propanediol - ≥98%(GC) , CAS No.623-57-4

CAS: 623-57-4 Cat. No.: D135042 Molecular Weight: 119.16 Beilstein Registry Number: 4302 EC Number: 210-802-4

GRADE & PURITY ≥98%(GC)

Synonyms

BP-31241 | MFCD00004714 | 3 -dimethylamino-1,2 -propanediol | Arsine, o-phenylenebis[dimethyl- | SY344198 | 3-Dimethylaminopropane-1,2-diol; | SCHEMBL11137 | METHICOL | MFCD11111913 | AS-14494 | 1, 3-(dimethylamino)- | 054QW4ZAMU | 1,3-dimethyl-3-nitrosou

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

3-(Dimethylamino)-1,2-propanediol was used in the preparation of: synthetic cationic lipid, N-[1-(2,3-dioleyloxy)propyl-N,N,N-trimethylammonium chloride (DOTMA), used in DNA-transfection protocol indane-derived bis(oxazolines)

Application

3-(Dimethylamino)-1,2-propanediol was used in the preparation of:
synthetic cationic lipid, N-[1-(2,3-dioleyloxy)propyl-N,N,N-trimethylammonium chloride (DOTMA), used in DNA-transfection protocol
indane-derived bis(oxazolines

Specifications

Synonyms

BP-31241 | MFCD00004714 | 3 -dimethylamino-1, 2 -propanediol | Arsine, o-phenylenebis[dimethyl- | SY344198 | 3-Dimethylaminopropane-1, 2-diol; | SCHEMBL11137 | METHICOL | MFCD11111913 | AS-14494 | 1, 3-(dimethylamino)- | 054QW4ZAMU | 1, 3-dimethyl-3-nitrosou

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488185676
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185676
• Canonical Smiles: CN(C)CC(CO)O
• IUPAC Name: 3-(dimethylamino)propane-1,2-diol
• InChIKey: QCMHUGYTOGXZIW-UHFFFAOYSA-N
• INCHI: 1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3
• Isomeric SMILES: CN(C)CC(CO)O
• WGK Germany: 3
• Molecular Weight: 119.16
• Beilstein: 4302
• Reaxy-Rn: 1734306
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734306&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,3-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,3-aminoalcohols
• Alternative Parents: Trialkylamines Secondary alcohols 1,2-diols 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-diol - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: 1.4609
• Flash Point(°F): 221 °F
• Flash Point(°C): 105°C(lit.)
• Boil Point(°C): 216-217 °C
• Molecular Weight: 119.160 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 119.095 Da
• Monoisotopic Mass: 119.095 Da
• Topological Polar Surface Area: 43.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 56.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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. Kai Wang, Wentao Zhou, Xiangyu Jin, Xuwei Shang, Xiaomei Wu, Lijuan Wen, Sufen Li, Yiling Hong, Jia Ke, Yichong Xu, Hong Yuan, Fuqiang Hu.  (2023)  Enhanced brain delivery of hypoxia-sensitive liposomes by hydroxyurea for rescue therapy of hyperacute ischemic stroke.  Nanoscale,  15  (27): (11625-11646).  [PMID:37377137] [10.1039/D3NR01071F]

2. Yuye Zhong, Tao Zhang, Wenshuo Zhang, Guannan Wang, Zhenhong Zhang, Pingping Zhao, Xinghai Liu, Houbin Li.  (2023)  Antibacterial castor oil-based waterborne polyurethane/gelatin films for packaging of strawberries.  Food Packaging and Shelf Life,      [PMID:] [10.1016/j.fpsl.2023.101055]

3. Yang Jiang, Chuanli Wang, Meng Liu, Biao Gu, Xiao Wang, Changhai Xu, Guowei Xiao, Dagang Miao, Jinmei Du.  (2024)  Preparation and properties of cationic waterborne polyurethane/acrylate for fluorine-free water repellents.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.55434]

4. Xingshuang Lv, Zhi Li, Zhenhao Zhang, Hao Wang, Hongwei Song, Shuaishuai Yuan, Xiaohui Fu, Zhibo Li.  (2024)  Quaternary Ammonium Salt-Based Intrinsic Antibacterial Polyurethanes: Optimizing the Antibacterial Activity via Cationic Main- or Side-Chain Design in Hard Segments.  ACS Applied Materials & Interfaces,      [PMID:39397780] [10.1021/acsami.4c13588]

5. Yuye Zhong, Zhenhong Zhang, Zhengjie Chen, Wenshuo Zhang, Xinghai Liu, Pingping Zhao, Tao Zhang, Houbin Li.  (2025)  Curcumin-based antibacterial waterborne polyurethane/gelatin composite film for pork preservation and freshness indication.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.165793]

6. Fei Yan, Gaosong Wang, Shengtao Dai, Qitao Huang, Guodong Su, Xibing Zhan, Liu Liu.  (2025)  Bio-Based Waterborne Polyurethane Sizing Agent Containing Strong Adhesion Catechol Structure for the Interfacial Enhancement of Carbon Fiber/Polyamide 6 Composites.  POLYMER COMPOSITES,      [PMID:] [10.1002/pc.70581]

7. Junrong Wu, Chuyan Lin, Jiale Chen, Yingchao Rong, Minzimo Song, Fengwei Xie, Taoyan Mao.  (2026)  A durable fluorine-free polyurethane coated fabric with switchable super-wetting properties under mild pH conditions for controlling oil/water separation.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2025.12.010]

8. Mengyuan Qi, Bing Gao, Changhai Xu, Jinmei Du, Jiaqi Liu, Hongying Yang.  (2026)  Enhancing the Dyeability of Basalt Fabric by Cationic Waterborne Polyurethane Modification.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c04054]