Home Nitriles 1H-Azepine-4-carbonitrile, hexahydro-

1H-Azepine-4-carbonitrile, hexahydro-

CAS No.:
1259062-50-4
Catalog Number:
AG000OYC
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
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Product Description
Catalog Number:
AG000OYC
Chemical Name:
1H-Azepine-4-carbonitrile, hexahydro-
CAS Number:
1259062-50-4
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
MDL Number:
MFCD18088870
IUPAC Name:
azepane-4-carbonitrile
InChI:
InChI=1S/C7H12N2/c8-6-7-2-1-4-9-5-3-7/h7,9H,1-5H2
InChI Key:
FDDYAXBCPQKJLJ-UHFFFAOYSA-N
SMILES:
N#CC1CCNCCC1
Properties
Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties