AG00BETA

27906-91-8 | (2-phenylethyl)propylamine

AG00BETA

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CAS Number	27906-91-8
Catalog Number	AG00BETA(AGN-PC-0KPS8K)
Chemical Name	(2-phenylethyl)propylamine
IUPAC Name	N-(2-phenylethyl)propan-1-amine
InChI	InChI=1S/C11H17N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChI Key	IIIRPZWDICEMGU-UHFFFAOYSA-N
MDL Number	MFCD03724002
Molecular Formula	C11H17N
Molecular Weight	163.2594
SMILES	N(CCC)CCC1C=CC=CC=1
Synonyms	27906-91-8, (2-Phenylethyl)propylamine, Benzeneethanamine, N-propyl-, Phenethyl-propyl-amine, N-phenethylpropan-1-amine, CHEMBL46232, CHEMBRDG-BB 6382736, Propylphenethylamine, BAS 02561765, 2-phenylethylpropyl amine, AC1MJRU2, N-propyl-N-phenethylamine, (2-phenylethyl)(propyl)amine, SCHEMBL273721, CTK0J2329, N-propyl-(beta-phenylethyl)amine, DTXSID40389740, IIIRPZWDICEMGU-UHFFFAOYSA-N, HMS1684H12, KS-00001LD9, ZINC2510416, BDBM50047896, MFCD03724002, AKOS000172841, (2-Phenylethyl)propylamine, AldrichCPR, AJ-36448, Y-0784, CID3142088,

Complexity	95.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.136g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	163.264g/mol
Monoisotopic Mass	163.136g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number