1,4,7-Triaminoheptane

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Basic information

CAS: 1985-81-5
Standard SMILES: NCCCC(N)CCCN
InChIKey: GDRJDUSGGPSMEI-UHFFFAOYSA-N
Molecular formula: C7H19N3
Average molar mass: 145.25 g/mol
Monoisotopic mass: 145.15789762

Overview

structure given in first source

Names & identifiers

Preferred name: 1,4,7-Triaminoheptane
IUPAC: heptane-1,4,7-triamine
English name: 1,4,7-triaminoheptane
Molecular formula: C7H19N3
Molecular weight: 145.25

Names & synonyms

1,4,7-Triaminoheptane1,4,7-Heptanetriamine1985-81-5DTXSID30173599RefChem:73016DTXCID7096090heptane-1,4,7-triamineSCHEMBL238918SCHEMBL103955621-(3-aminopropyl)butane-1,4-diamineAKOS006365520

Database identifiers

CAS: 1985-81-5
PubChem CID: 164909
DTXSID: DTXSID30173599
Nikkaji: J1.180.409H

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 78.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 57.9

Physicochemical properties

Boiling point: 305.4 · 305.4±10.0 °C(Predicted)
Density: 0.934 · 0.934±0.06 g/cm3(Predicted)
pka: 10.72 · 10.72±0.10(Predicted)

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Compound notes

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