CAS
93882-23-6 Purity
96%
93882-23-6 Purity
96%
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4-Methyldodecene-1-nitrile
CAS
93882-38-3
Catalog Number
ACM93882383
Category
Other Products
Molecular Weight
193.328420 [g/mol]
Molecular Formula
C13H23N
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Specification
Synonyms
4-Methyldodecene-1-nitrile, 93882-38-3, 2-Dodecenenitrile, 4-methyl-, CTK5H3686, 68039-75-8, AG-H-84469
IUPAC Name
4-methyldodec-2-enenitrile
Canonical SMILES
CCCCCCCCC(C)C=CC#N
InChI Key
MXRVPBVPWKZJCS-UHFFFAOYSA-N
Boiling Point
283.4ºC at 760mmHg
Flash Point
125.5ºC
Density
0.838g/cm³
EC Number
299-433-8
Exact Mass
193.18300
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 4-Methyldodecene-1-nitrile?
The molecular formula is C13H23N.
When was 4-Methyldodecene-1-nitrile created in PubChem?
It was created on December 5, 2007.
What is the molecular weight of 4-Methyldodecene-1-nitrile?
The molecular weight is 193.33 g/mol.
What is the IUPAC Name of 4-Methyldodecene-1-nitrile?
The IUPAC Name is (E)-4-methyldodec-2-enenitrile.
What is the Canonical SMILES of 4-Methyldodecene-1-nitrile?
The Canonical SMILES is CCCCCCCCC(C)C=CC#N.
How many Hydrogen Bond Acceptor Count does 4-Methyldodecene-1-nitrile have?
It has 1 Hydrogen Bond Acceptor Count.
What is the XLogP3-AA value of 4-Methyldodecene-1-nitrile?
The XLogP3-AA value is 5.4.
Is 4-Methyldodecene-1-nitrile a Covalently-Bonded Unit?
Yes, it is a Covalently-Bonded Unit.
How many Rotatable Bond Count does 4-Methyldodecene-1-nitrile have?
It has 8 Rotatable Bond Count.
What is the InChIKey of 4-Methyldodecene-1-nitrile?
The InChIKey is MXRVPBVPWKZJCS-PKNBQFBNSA-N.
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