1-(5-amino-2,3-dihydro-1H-indol-1-yl)ethan-1-one

HCID 292507CAS 4993-96-8

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)N1CCc2cc(N)ccc21
InChIKey: WSDUFDGEYKOQRT-UHFFFAOYSA-N
Molecular formula: C10H12N2O
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.094963

Names & identifiers

Preferred name: 1-(5-amino-2,3-dihydro-1H-indol-1-yl)ethan-1-one
IUPAC: 1-(5-amino-2,3-dihydroindol-1-yl)ethanone
English name: 1-Acetyl-5-amino-2,3-dihydro-(1H)-indole
Molecular formula: C10H12N2O
Molecular weight: 176.22

Names & synonyms

1-(5-Amino-2,3-dihydro-1H-indol-1-yl)ethan-1-oneRefChem:426181622-187-34993-96-81-Acetyl-5-aminoindoline1-(5-aminoindolin-1-yl)ethanone1-acetyl-5-amino-2,3-dihydro-(1h)-indole1-Acetyl-5-amino-2,3-dihydro-1H-indole1-acetylindolin-5-amine1-(5-amino-2,3-dihydroindol-1-yl)ethanone1-(5-aminoindolin-1-yl)ethan-1-oneMFCD00087208

Show more names

SBB010097BAS 00146976ZINC00080838Oprea1_842763TIMTEC-BB SBB010097

1-(5-Amino-2,3-dihydro-indol-1-yl)-ethanone1H-Indol-5-amine, 1-acetyl-2,3-dihydro-1-Acetyl-2,3-dihydro-1H-indol-5-ylamine1-(5-amino-2,3-dihydro-1H-indol-1-yl)ethanoneBUTTPARK 48\08-62NSC1583171-acetyl-5-indolinamineN-acetyl-5-aminoindoline

Database identifiers

CAS: 4993-96-8
PubChem CID: 292507
DTXSID: DTXSID30303430
EC Number: 622-187-3

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 217

Physicochemical properties

Melting point: 180 · 180-182
Boiling point: 469.7 · 469.7±45.0 °C(Predicted)
Density: 1.231 · 1.231±0.06 g/cm3(Predicted)
pka: 3.86 · 3.86±0.20(Predicted)
form: solid
color: Brown
CAS DataBase Reference: 4993 · 4993-96-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36/37
Hazard Note: Irritant
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29339900
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501