Ethyl 3-amino-1H-indole-2-carboxylate

HCID 732887

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Basic information

CAS: 87223-77-6
Standard SMILES: CCOC(=O)c1[nH]c2ccccc2c1N
InChIKey: GQXOMZRZCLHBSH-UHFFFAOYSA-N
Molecular formula: C11H12N2O2
Average molar mass: 204.22 g/mol
Monoisotopic mass: 204.08987762

Names & identifiers

Preferred name: Ethyl 3-amino-1H-indole-2-carboxylate
IUPAC: ethyl 3-amino-1H-indole-2-carboxylate
English name: 3-Amino-1H-indole-2-carboxylic acid ethyl ester
Molecular formula: C11H12N2O2
Molecular weight: 204.23

Names & synonyms

Ethyl 3-amino-1H-indole-2-carboxylate87223-77-6DTXSID80352690RefChem:594794DTXCID50303755673-311-83-Amino-1H-indole-2-carboxylic acid ethyl esterMFCD001410601H-Indole-2-carboxylic acid, 3-amino-, ethyl esterethyl 3-aminoindole-2-carboxylate3-amino-2-indolecarboxylic acid ethyl esterCS-0061561

Show more names

3-amino-1-ethyl-2-indolecarboxylate1H-Indole-2-carboxylicacid,3-amino-,ethylester(9CI)

EN300-103218F2147-0578Ethyl 3-amino-2-indolecarboxylateBB 0260984FT-0677025Bionet2_0002782-carbethoxy-3-aminoindole3-Amino-2-carboethoxyindole

Database identifiers

CAS: 87223-77-6
PubChem CID: 732887
DTXSID: DTXSID80352690
EC Number: 673-311-8
Nikkaji: J1.380.525C

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 68.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 245

Physicochemical properties

Melting point: 153 · 153-154°C
Boiling point: 400.1 · 400.1±25.0 °C(Predicted)
Density: 1.288 · 1.288
storage temp.: 2 · 2-8°C
pka: 15.7 · 15.70±0.30(Predicted)
Appearance: Light yellow to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.