1,2,4,5-Benzenetetraamine

HCID 78261CAS 3204-61-3

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Basic information

Standard SMILES: Nc1cc(N)c(N)cc1N
InChIKey: ANUAIBBBDSEVKN-UHFFFAOYSA-N
Molecular formula: C6H10N4
Average molar mass: 138.17 g/mol
Monoisotopic mass: 138.09054632

Overview

structure in first source

Names & identifiers

Preferred name: 1,2,4,5-Benzenetetraamine
IUPAC: benzene-1,2,4,5-tetramine
English name: 1,2,4,5-BenzenetetraMine
Molecular formula: C6H10N4
Molecular weight: 138.17

Names & synonyms

1,2,4,5-tetraaminobenzene1,2,4,5-benzenetetraamineRefChem:906643inhibitor 14 benzenetetraamineY15 benzenetetraamine compound1,2,4,5-Benzenetetramine3204-61-3benzene-1,2,4,5-tetraminebenzene-1,2,4,5-tetraamineCHEMBL374926NSC6672491,2,4,5-TETRAAMINO BENZENE

Show more names

1,2,4,5-tetraminobenzeneSCHEMBL107641DTXSID80275759ALBB-031680BDBM50595928AKOS0062232121,2,4,5-Benzenetetramine hydrochloride

Database identifiers

CAS: 3204-61-3
PubChem CID: 78261
DTXSID: DTXSID80275759
ChEMBL: CHEMBL374926
Nikkaji: J215.836A

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 104 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 90.3

Physicochemical properties

Melting point: 274 · 274-276 °C
Boiling point: 400.9 · 400.9±40.0 °C(Predicted)
Density: 1.401 · 1.401±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 6.01 · 6.01±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362