1H-Indazol-6-amine

HCID 81423CAS 6343-52-8

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc2cn[nH]c2c1
InChIKey: KEJFADGISRFLFO-UHFFFAOYSA-N
Molecular formula: C7H7N3
Average molar mass: 133.15 g/mol
Monoisotopic mass: 133.06399722

Overview

1H-indazol-6-amine is a member of indazoles.

Names & identifiers

Preferred name: 1H-Indazol-6-amine
IUPAC: 1H-indazol-6-amine
English name: 2H-indazol-6-amine
Molecular formula: C7H7N3
Molecular weight: 133.15

Names & synonyms

6-Aminoindazole1H-Indazol-6-amine6967-12-0KN72RH56SRDTXSID90219962NSC-68265NSC-208700RefChem:540350DTXCID40142453230-177-16-Amino-1H-indazole2h-indazol-6-amine

Show more names

6343-52-81H-indazol-6-ylamineMFCD000056966-Indazolamine1H-indazole-6-ylamineMLS000069415CHEMBL5947071H-INDAZOLE, 6-AMINO-

Database identifiers

CAS: 6343-52-8、6967-12-0
PubChem CID: 81423
DTXSID: DTXSID90219962
ChEMBL: CHEMBL594707
ChEBI: CHEBI:125574
UNII: KN72RH56SR
EC Number: 230-177-1、973-525-4
Nikkaji: J40.999E

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 54.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Experimental & physicochemical properties

LogP0.52

Solubility18.2 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Boiling point: 204.3 · 204.3±23.0 °C(Predicted)
Density: 1.367 · 1.367±0.06 g/cm3(Predicted)
pka: 14.45 · 14.45±0.30(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]