AG00H1L2

911372-78-6 | (R)-4-(1-Aminoethyl)benzonitrile hydrochloride

AG00H1L2

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CAS Number	911372-78-6
Catalog Number	AG00H1L2(AGN-PC-0VRR8J)
Chemical Name	(R)-4-(1-Aminoethyl)benzonitrile hydrochloride
IUPAC Name	4-[(1R)-1-aminoethyl]benzonitrile;hydrochloride
InChI	InChI=1S/C9H10N2.ClH/c1-7(11)9-4-2-8(6-10)3-5-9;/h2-5,7H,11H2,1H3;1H/t7-;/m1./s1
InChI Key	KZLPYAMQKGFHBF-OGFXRTJISA-N
MDL Number	MFCD16295027
Molecular Formula	C9H11ClN2
Molecular Weight	182.6500
SMILES	N#CC1=CC=C([C@H](N)C)C=C1.[H]Cl
Synonyms	(R)-4-(1-Aminoethyl)benzonitrile hydrochloride, 911372-78-6, (R)-4-(1-aminoethyl)benzonitrile-HCl, 4-[(1R)-1-aminoethyl]benzonitrile hydrochloride, Benzonitrile, 4-[(1R)-1-aminoethyl]-, monohydrochloride, AK133444, SCHEMBL4233791, DTXSID60704274, KZLPYAMQKGFHBF-OGFXRTJISA-N, CS-B0961, KS-00000RJ3, MFCD16295027, AKOS015924321, GS-7236, AX8254995, ST2401599, S-0081, (R)-4-(1-Aminoethyl)-benzonitrile hydrochloride, 4-[(1R)-1-amino ethyl]benzonitrile hydrochloride, 4-[(1R)-1-Aminoethyl]benzonitrile--hydrogen chloride (1/1), ACN-030730, (R)-4-(1-Aminoethyl)benzonitrilehydrochloride,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	182.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.651g/mol
Monoisotopic Mass	182.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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