Home Nitriles 1-(aminomethyl)cyclohexane-1-carbonitrile

1-(aminomethyl)cyclohexane-1-carbonitrile

CAS No.:
1513267-68-9
Catalog Number:
AG01B2I3
Molecular Formula:
C8H14N2
Molecular Weight:
138.2102
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Product Description
Catalog Number:
AG01B2I3
Chemical Name:
1-(aminomethyl)cyclohexane-1-carbonitrile
CAS Number:
1513267-68-9
Molecular Formula:
C8H14N2
Molecular Weight:
138.2102
MDL Number:
MFCD29991617
IUPAC Name:
1-(aminomethyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C8H14N2/c9-6-8(7-10)4-2-1-3-5-8/h1-6,9H2
InChI Key:
ZFXSRXFFVQUSJG-UHFFFAOYSA-N
SMILES:
NCC1(CCCCC1)C#N
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.116g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.214g/mol
Monoisotopic Mass:
138.116g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties