1H-Indole-2-carboxamide

HCID 594832
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Basic information

CAS
1670-84-4
Standard SMILES
NC(=O)c1cc2ccccc2[nH]1
InChIKey
VFHUJFBEFDVZPJ-UHFFFAOYSA-N
Molecular formula
C9H8N2O
Average molar mass
160.17 g/mol
Monoisotopic mass
160.06366288

Names & identifiers

Preferred name
1H-Indole-2-carboxamide
IUPAC
1H-indole-2-carboxamide
English name
Indole-2-carboxamide
Molecular formula
C9H8N2O
Molecular weight
160.17

Names & synonyms

1H-Indole-2-carboxamide1670-84-4DTXSID50344168RefChem:1058189DTXCID10295243605-465-9Indole-2-carboxamideMFCD002310361H-Indole-2-carboxylic acid amideIndole, 2-carboxamide-3H-Indole-2-carboxamideIndole amide
Show more names
ndole-2-carboxamide1H-INDOLE-2-CARBOXAMIDE(9CL)1H-Indole-2-carboxamide(9CI)Indole-2-carboxaMide(6CI,7CI,8CI)
2-CarbaMoylindoleindoleimidocarboxylic2-indole carboxamide1H-2-indolecarboxamideA1CE51H-Indole-2-carboxamide #SCHEMBL118686SCHEMBL968727

Database identifiers

CAS
1670-84-4
PubChem CID
594832
DTXSID
DTXSID50344168
EC Number
605-465-9
Nikkaji
J1.605.355D

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
58.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

LogP1.61

Physicochemical properties

Melting point
234.5 · 234.5-235.5 °C
Boiling point
457.6 · 457.6±18.0 °C(Predicted)
Density
1.328 · 1.328±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
form
crystals
pka
15.39 · 15.39±0.30(Predicted)

Safety & regulation

Safety data

hs_code
2918199890
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H319-H335
Precautionary statements
P260-P280-P271

Chemistry & industry

Suppliers52 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

30 records
New reaction record

Compound notes

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