Home Nitriles 3-(azepan-1-yl)propanenitrile

3-(azepan-1-yl)propanenitrile

CAS No.:
937-51-9
Catalog Number:
AG006EC5
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
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Product Description
Catalog Number:
AG006EC5
Chemical Name:
3-(azepan-1-yl)propanenitrile
CAS Number:
937-51-9
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
MDL Number:
MFCD00014116
IUPAC Name:
3-(azepan-1-yl)propanenitrile
InChI:
InChI=1S/C9H16N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-5,7-9H2
InChI Key:
GDQLRKPUJAWNNP-UHFFFAOYSA-N
SMILES:
N#CCCN1CCCCCC1
EC Number:
213-330-7
NSC Number:
73498
Properties
Complexity:
137  
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:
0
Isotope Atom Count:
0
Molecular Weight:
152.241g/mol
Monoisotopic Mass:
152.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties