AG007PK9

1188264-05-2 | 3-(1-AMINOETHYL)BENZONITRILE-HCl

AG007PK9

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CAS Number	1188264-05-2
Catalog Number	AG007PK9(AGN-PC-0WA75V)
Chemical Name	3-(1-AMINOETHYL)BENZONITRILE-HCl
IUPAC Name	3-(1-aminoethyl)benzonitrile;hydrochloride
InChI	InChI=1S/C9H10N2.ClH/c1-7(11)9-4-2-3-8(5-9)6-10;/h2-5,7H,11H2,1H3;1H
InChI Key	UMKDPZGKJZQZAY-UHFFFAOYSA-N
MDL Number	MFCD11112844
Molecular Formula	C9H11ClN2
Molecular Weight	182.6500
SMILES	N#CC1=CC=CC(C(N)C)=C1.[H]Cl
Synonyms	3-(1-aminoethyl)benzonitrile hydrochloride, 1188264-05-2, 3-(1-AMINOETHYL)BENZONITRILE-HCl, 3-(1-aminoethyl)benzonitrile hcl, AK-28670, PubChem23001, SCHEMBL1003370, CTK8B8835, UMKDPZGKJZQZAY-UHFFFAOYSA-N, ANW-61427, MFCD11112844, AKOS015847531, ACM153994673, AK-28671, AK-42147, 3-(1-aminoethyl)benzonitrile;hydrochloride, AB0000063, AX8209490, ST2404686, TC-150172, 4CH-018936, FT-0084247, W3350, 3-[(1R)-1-aminoethyl]benzonitrile;hydrochloride, 3-(1-azanylethyl)benzenecarbonitrile hydrochloride, A809483, I14-5216, C9H11ClN2, (S)-3-(1-Aminoethyl)benzonitrile hydrochloride, 3-(1-AMINOETHYL)BENZONITRILE, ACN-030831, (R)-3-(1-Aminoethyl)benzonitrile hydrochloride, 3-(1-Aminoethyl)benzonitrilehydrochloride, B-1950, 153994-67-3, 1286693-23-9, N/A,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number