Home Nitriles 4-amino-4-phenylbutanenitrile hydrochloride

4-amino-4-phenylbutanenitrile hydrochloride

CAS No.:
1423029-42-8
Catalog Number:
AG01A1SH
Molecular Formula:
C10H13ClN2
Molecular Weight:
196.6766
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Product Description
Catalog Number:
AG01A1SH
Chemical Name:
4-amino-4-phenylbutanenitrile hydrochloride
CAS Number:
1423029-42-8
Molecular Formula:
C10H13ClN2
Molecular Weight:
196.6766
MDL Number:
MFCD22565934
IUPAC Name:
4-amino-4-phenylbutanenitrile;hydrochloride
InChI:
InChI=1S/C10H12N2.ClH/c11-8-4-7-10(12)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7,12H2;1H
InChI Key:
GDSIKCDGBWGOLA-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)CCC#N.Cl
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.077g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.678g/mol
Monoisotopic Mass:
196.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties