CAS
94386-52-4 Purity
96%
94386-52-4 Purity
96%
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1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile
CAS
94386-56-8
Catalog Number
ACM94386568
Category
Other Products
Molecular Weight
189.296660 [g/mol]
Molecular Formula
C13H19N
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Specification
Synonyms
EINECS 305-279-5, CID216422, 1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile, 94386-56-8
IUPAC Name
1,6-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbonitrile
Canonical SMILES
CC1CCC2=C(C1)CCC(C2C)C#N
InChI Key
BEXBQPUACQKYNA-UHFFFAOYSA-N
Boiling Point
313.1ºC at 760mmHg
Flash Point
115.8ºC
Density
0.97g/cm³
EC Number
305-279-5
Exact Mass
189.15200
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile?
The molecular formula is C13H19N.
What is the molecular weight of 1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile?
The molecular weight is 189.30 g/mol.
When was 1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile created and modified in PubChem?
It was created on 2005-08-09 and last modified on 2023-12-30.
What is the IUPAC name of 1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile?
The IUPAC name is 1,6-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2-carbonitrile.
What is the InChIKey of 1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile?
The InChIKey is BEXBQPUACQKYNA-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile?
The topological polar surface area is 23.8 Å2.
Is 1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile a canonical compound in PubChem?
Yes, it is a canonical compound in PubChem.
What is the XLogP3-AA value of 1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile?
The XLogP3-AA value is 2.5.
How many defined atom stereocenter counts does 1,2,3,4,5,6,7,8-Octahydro-1,6-dimethylnaphthalene-2-carbonitrile have?
It has 0 defined atom stereocenter counts.
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