CAS
93981-76-1 Purity
96%
93981-76-1 Purity
96%
![[3-[[2-Cyano-3-[4-(diethylamino)phenyl]-1-oxoallyl]oxy]propyl](2-hydroxyethyl)dimethylammonium chloride](https://resource.alfa-chemistry.com/structure/93981-78-3.gif)
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3-(p-tert-Butylphenyl)-2-methylpropiononitrile
CAS
93981-80-7
Catalog Number
ACM93981807
Category
Other Products
Molecular Weight
201.307360 [g/mol]
Molecular Formula
C14H19N
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Specification
Synonyms
EINECS 301-168-0, CID3023178, 3-(p-tert-Butylphenyl)-2-methylpropiononitrile, 93981-80-7
IUPAC Name
3-(4-tert-butylphenyl)-2-methylpropanenitrile
Canonical SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)C#N
InChI Key
IJCFINYXARJUNJ-UHFFFAOYSA-N
Boiling Point
318.3ºC at 760mmHg
Flash Point
149.4ºC
Density
0.933g/cm³
EC Number
301-168-0
Exact Mass
201.15200
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound 3-(p-tert-Butylphenyl)-2-methylpropiononitrile?
The molecular formula is C14H19N.
What is the molecular weight of the compound?
The molecular weight is 201.31 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 3-(4-tert-butylphenyl)-2-methylpropanenitrile.
What is the InChIKey of the compound?
The InChIKey is IJCFINYXARJUNJ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC(CC1=CC=C(C=C1)C(C)(C)C)C#N.
What is the CAS number of the compound?
The CAS number is 93981-80-7.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 201.151749610 g/mol.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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