CAS 13228-41-6 1H-Indole, 2-propyl- (HCID 139415)

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Basic information

CAS: 13228-41-6
Standard SMILES: CCCc1cc2ccccc2[nH]1
InChIKey: HJENUMMIFDMCEN-UHFFFAOYSA-N
Molecular formula: C11H13N
Average molar mass: 159.23 g/mol
Monoisotopic mass: 159.10479942

Names & identifiers

Preferred name: 1H-Indole, 2-propyl-
IUPAC: 2-propyl-1H-indole
English name: 1H-Indole, 2-propyl-
Molecular formula: C11H13N
Molecular weight: 159.23

Names & synonyms

2-propyl-1H-indole1H-Indole, 2-propyl-13228-41-6Propylindol2-propylindoleSCHEMBL73259SCHEMBL153397SCHEMBL232201SCHEMBL694595SCHEMBL1327113SCHEMBL5604157SCHEMBL7064423

Show more names

SCHEMBL30610463DTXSID80157460HJENUMMIFDMCEN-UHFFFAOYSA-NHS-7822AQ-776/42801374

Database identifiers

CAS: 13228-41-6
PubChem CID: 139415
DTXSID: DTXSID80157460
Nikkaji: J479.344G

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 144

Physicochemical properties

Boiling point: 274.74 °C · 274.74°C (rough estimate)
Density: 1.0293 · 1.0293 (rough estimate)
refractive index: 1.549 · 1.5490 (estimate)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362