Home Nitriles 4,4-dimethylheptanedinitrile

4,4-dimethylheptanedinitrile

CAS No.:
28118-37-8
Catalog Number:
AG01EJSN
Molecular Formula:
C9H14N2
Molecular Weight:
150.2209
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Product Description
Catalog Number:
AG01EJSN
Chemical Name:
4,4-dimethylheptanedinitrile
CAS Number:
28118-37-8
Molecular Formula:
C9H14N2
Molecular Weight:
150.2209
MDL Number:
MFCD25961860
IUPAC Name:
4,4-dimethylheptanedinitrile
InChI:
InChI=1S/C9H14N2/c1-9(2,5-3-7-10)6-4-8-11/h3-6H2,1-2H3
InChI Key:
PXAXNOYLUCYRRJ-UHFFFAOYSA-N
SMILES:
N#CCCC(CCC#N)(C)C
NSC Number:
99220
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.116g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.225g/mol
Monoisotopic Mass:
150.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties