N-(2-Hydroxyethyl)-1,3-propanediamine - ≥97% , CAS No.4461-39-6

CAS: 4461-39-6 Cat. No.: N184580 Molecular Weight: 118.2 EC Number: 224-718-0

GRADE & PURITY ≥97%

Synonyms

MFCD00000553 | 2-bromo-1-(2,4-dichloro-phenyl)-ethanone | W-109974 | (+)-(2R,8aS)-10-(Camphorylsulfonyl)oxaziridine | FT-0629135 | AKOS009156769 | EN300-6480851 | N-(2-Hydroxyethyl)-1,3-diaminopropane | Phenol, 4-ethenyl-, acetate | C5H14N2O | N-(2-Hydrox

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD00000553 | 2-bromo-1-(2, 4-dichloro-phenyl)-ethanone | W-109974 | (+)-(2R, 8aS)-10-(Camphorylsulfonyl)oxaziridine | FT-0629135 | AKOS009156769 | EN300-6480851 | N-(2-Hydroxyethyl)-1, 3-diaminopropane | Phenol, 4-ethenyl-, acetate | C5H14N2O | N-(2-Hydrox

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(CN)CNCCO
• IUPAC Name: 2-(3-aminopropylamino)ethanol
• InChIKey: GHKSKVKCKMGRDU-UHFFFAOYSA-N
• INCHI: 1S/C5H14N2O/c6-2-1-3-7-4-5-8/h7-8H,1-6H2
• Isomeric SMILES: C(CN)CNCCO
• WGK Germany: 3
• Molecular Weight: 118.2
• Reaxy-Rn: 1734412
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734412&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines
• Direct Parent: 1,2-aminoalcohols
• Alternative Parents: Dialkylamines Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,2-aminoalcohol - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,2-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 C2 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

• Refractive Index: 1.486
• Flash Point(°F): 305.6 °F
• Flash Point(°C): 152 °C
• Boil Point(°C): 250-252 °C
• Molecular Weight: 118.180 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 118.111 Da
• Monoisotopic Mass: 118.111 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 41.400
• 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. Jinfeng Xiong, Songwei Tan, Long Yu, Hui Shen, Shen Qu, Chong Zhang, Ci Ren, Da Zhu, Hui Wang.  (2021)  E7-Targeted Nanotherapeutics for Key HPV Afflicted Cervical Lesions by Employing CRISPR/Cas9 and Poly (Beta-Amino Ester).  International Journal of Nanomedicine,      [PMID:34819726] [10.2147/IJN.S335277]