AG000XH0

127852-22-6 | (S)-3-(1-Aminoethyl)benzonitrile

AG000XH0

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CAS Number	127852-22-6
Catalog Number	AG000XH0(AGN-PC-0O0U51)
Chemical Name	(S)-3-(1-Aminoethyl)benzonitrile
IUPAC Name	3-[(1S)-1-aminoethyl]benzonitrile
InChI	InChI=1S/C9H10N2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5,7H,11H2,1H3/t7-/m0/s1
InChI Key	UTDRNGQVIRUPOC-ZETCQYMHSA-N
MDL Number	MFCD06761821
Molecular Formula	C9H10N2
Molecular Weight	146.1891
SMILES	N#CC1=CC=CC([C@@H](N)C)=C1
Synonyms	(S)-3-(1-aminoethyl)benzonitrile, 127852-22-6, (S)-1-(3-Cyanophenyl)ethylamine, 3-[(1S)-1-aminoethyl]benzonitrile, Benzonitrile, 3-[(1S)-1-aminoethyl]-, SCHEMBL5861621, Jsp001745, CTK8B4929, DTXSID40610425, UTDRNGQVIRUPOC-ZETCQYMHSA-N, KS-000026EN, ANW-46739, CA-740, MFCD06761821, ZINC21297715, AKOS005258649, AC-2281, GS-7241, AJ-78125, AN-14129, 3-[(1S)-1-azanylethyl]benzenecarbonitrile, AB0035389, AB1006473, ST2414615, TL8000683, TR-003966, FT-0084249, FT-0648126, X9711, A-5815, 852A226, A805756, I14-5246, C9H10N2, ACN-030829, (S)-3-(1-AMINOETHYL)BENZONITRILE-HCl,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	146.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.193g/mol
Monoisotopic Mass	146.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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