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80822-82-8 | Butanedinitrile, 2,3-dimethyl-2,3-bis(2-methylpropyl)-
CAS No: 80822-82-8 Catalog No: AG0036I0 MDL No:MFCD00040689
Product Description
Catalog Number:
AG0036I0
Chemical Name:
Butanedinitrile, 2,3-dimethyl-2,3-bis(2-methylpropyl)-
CAS Number:
80822-82-8
Molecular Formula:
C14H24N2
Molecular Weight:
220.3538
MDL Number:
MFCD00040689
IUPAC Name:
2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
InChI:
InChI=1S/C14H24N2/c1-11(2)7-13(5,9-15)14(6,10-16)8-12(3)4/h11-12H,7-8H2,1-6H3
InChI Key:
ZSQZMKLXZYSHCK-UHFFFAOYSA-N
SMILES:
CC(CC(C(C#N)(CC(C)C)C)(C#N)C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.194g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.36g/mol
Monoisotopic Mass:
220.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Identification of 2,3-dimethyl-2,3-diisobutyl succinonitrile in laser printer emissions. | Rapid communications in mass spectrometry : RCM 20080101 |
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