Home Nitriles 3-(1-amino-3-methylbutyl)benzonitrile

3-(1-amino-3-methylbutyl)benzonitrile

CAS No.:
1935642-04-8
Catalog Number:
AG01BTP2
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
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Product Description
Catalog Number:
AG01BTP2
Chemical Name:
3-(1-amino-3-methylbutyl)benzonitrile
CAS Number:
1935642-04-8
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
MDL Number:
MFCD30750008
IUPAC Name:
3-(1-amino-3-methylbutyl)benzonitrile
InChI:
InChI=1S/C12H16N2/c1-9(2)6-12(14)11-5-3-4-10(7-11)8-13/h3-5,7,9,12H,6,14H2,1-2H3
InChI Key:
VQAQAONIJMWWKK-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(CC(C)C)N
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties