Home Nitriles (S)-4-(1-AMinoethyl)benzonitrile HCl

(S)-4-(1-AMinoethyl)benzonitrile HCl

CAS No.:
911372-80-0
Catalog Number:
AG00H1L3
Molecular Formula:
C9H11ClN2
Molecular Weight:
182.6500
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Product Description
Catalog Number:
AG00H1L3
Chemical Name:
(S)-4-(1-AMinoethyl)benzonitrile HCl
CAS Number:
911372-80-0
Molecular Formula:
C9H11ClN2
Molecular Weight:
182.6500
MDL Number:
MFCD16295138
IUPAC Name:
4-[(1S)-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-;/m0./s1
InChI Key:
KZLPYAMQKGFHBF-FJXQXJEOSA-N
SMILES:
N#Cc1ccc(cc1)[C@@H](N)C.Cl
Properties
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
Properties