3-(3-Phenylpropyl)aniline

HCID 427307

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Basic information

CAS: 80861-05-8
Standard SMILES: Nc1cccc(CCCc2ccccc2)c1
InChIKey: RZPAYIGFFATDFM-UHFFFAOYSA-N
Molecular formula: C15H17N
Average molar mass: 211.3 g/mol
Monoisotopic mass: 211.13609954

Names & identifiers

Preferred name: 3-(3-Phenylpropyl)aniline
IUPAC: 3-(3-phenylpropyl)aniline

Names & synonyms

3-(3-phenylpropyl)aniline80861-05-8DTXSID70330169RefChem:274263DTXCID30281264Benzenamine, 3-(3-phenylpropyl)-3-(3-Phenylpropyl)benzenamine3-(3-phenylpropyl)-anilineSCHEMBL8321871SCHEMBL9798986RZPAYIGFFATDFM-UHFFFAOYSA-NFDA86105

Show more names

MFCD16622137SB79275SY184549CS-0256866EN300-65469G21552

Database identifiers

CAS: 80861-05-8
PubChem CID: 427307
DTXSID: DTXSID70330169
EC Number: 156-498-6

Properties

Computed structural propertiesFilling in

XLogP: 4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 184

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, P317, 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.