Home Nitriles 4-(aminomethyl)-3,5-dimethylbenzonitrile hydrochloride

4-(aminomethyl)-3,5-dimethylbenzonitrile hydrochloride

CAS No.:
1618647-93-0
Catalog Number:
AG01DIRA
Molecular Formula:
C10H13ClN2
Molecular Weight:
196.6766
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Product Description
Catalog Number:
AG01DIRA
Chemical Name:
4-(aminomethyl)-3,5-dimethylbenzonitrile hydrochloride
CAS Number:
1618647-93-0
Molecular Formula:
C10H13ClN2
Molecular Weight:
196.6766
MDL Number:
MFCD31652375
IUPAC Name:
4-(aminomethyl)-3,5-dimethylbenzonitrile;hydrochloride
InChI:
InChI=1S/C10H12N2.ClH/c1-7-3-9(5-11)4-8(2)10(7)6-12;/h3-4H,6,12H2,1-2H3;1H
InChI Key:
XWRYZCLHGPUMRV-UHFFFAOYSA-N
SMILES:
NCc1c(C)cc(cc1C)C#N.Cl
Properties
Complexity:
179  
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:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties