Home Nitriles 3-Amino-3-(3-methoxyphenyl)propanenitrile hydrochloride

3-Amino-3-(3-methoxyphenyl)propanenitrile hydrochloride

CAS No.:
1956324-43-8
Catalog Number:
AG00I3F4
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
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Product Description
Catalog Number:
AG00I3F4
Chemical Name:
3-Amino-3-(3-methoxyphenyl)propanenitrile hydrochloride
CAS Number:
1956324-43-8
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
MDL Number:
MFCD30180244
IUPAC Name:
3-amino-3-(3-methoxyphenyl)propanenitrile;hydrochloride
InChI:
InChI=1S/C10H12N2O.ClH/c1-13-9-4-2-3-8(7-9)10(12)5-6-11;/h2-4,7,10H,5,12H2,1H3;1H
InChI Key:
UDHBQMQFOCYPHS-UHFFFAOYSA-N
SMILES:
N#CCC(c1cccc(c1)OC)N.Cl
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.677g/mol
Monoisotopic Mass:
212.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties