Home Nitriles Cyclohexaneacetonitrile, alpha-amino-alpha-methyl- (9CI)

Cyclohexaneacetonitrile, alpha-amino-alpha-methyl- (9CI)

CAS No.:
790611-03-9
Catalog Number:
AG00GO6C
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
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Product Description
Catalog Number:
AG00GO6C
Chemical Name:
Cyclohexaneacetonitrile, alpha-amino-alpha-methyl- (9CI)
CAS Number:
790611-03-9
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
IUPAC Name:
2-amino-2-cyclohexylpropanenitrile
InChI:
InChI=1S/C9H16N2/c1-9(11,7-10)8-5-3-2-4-6-8/h8H,2-6,11H2,1H3
InChI Key:
SIJSEFVGBWJZDO-UHFFFAOYSA-N
SMILES:
N#CC(C1CCCCC1)(N)C
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.131g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.241g/mol
Monoisotopic Mass:
152.131g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties