CAS 1670-88-8 1H-Indole-6-carboxamide (HCID 594837)

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Basic information

CAS: 1670-88-8
Standard SMILES: NC(=O)c1ccc2cc[nH]c2c1
InChIKey: KJLFFCRGGGXQKE-UHFFFAOYSA-N
Molecular formula: C9H8N2O
Average molar mass: 160.17 g/mol
Monoisotopic mass: 160.06366288

Names & identifiers

Preferred name: 1H-Indole-6-carboxamide
IUPAC: 1H-indole-6-carboxamide
English name: 1H-Indole-6-carboxamide(9CI)
Molecular formula: C9H8N2O
Molecular weight: 160.17

Names & synonyms

1H-Indole-6-carboxamide1670-88-8DTXSID40344172RefChem:438762DTXCID50295247859-443-01H-Indole-6-carboxamide(9CI)MFCD13176771Indole-7-carboxamideIndole-6-carboxamideSCHEMBL50552SCHEMBL4518209

Show more names

SCHEMBL9535402SCHEMBL30201702BDBM930221h-indole-6-carboxylic acid amideBAA67088AKOS010301800DB-328922EN300-322012

Database identifiers

CAS: 1670-88-8
PubChem CID: 594837
DTXSID: DTXSID40344172
EC Number: 859-443-0
Nikkaji: J2.328.988A

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 58.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 193

Physicochemical properties

Melting point: 188.5 · 188.5-190.5 °C
Boiling point: 457.6 · 457.6±18.0 °C(Predicted)
Density: 1.328 · 1.328±0.06 g/cm3(Predicted)
pka: 16.04 · 16.04±0.30(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P