CAS
93981-38-5 Purity
96%
93981-38-5 Purity
96%
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Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate
CAS
93981-49-8
Catalog Number
ACM93981498
Category
Other Products
Molecular Weight
271.354140 [g/mol]
Molecular Formula
C17H21NO2
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Specification
Synonyms
EINECS 301-135-0, CID3023160, Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate, 93981-49-8
IUPAC Name
methyl 2-[(1,2-dimethylcyclohex-3-en-1-yl)methylideneamino]benzoate
SMILES
CC1C=CCCC1(C)C=NC2=CC=CC=C2C(=O)OC
InChI Key
QVJHBJZLOUPGLB-UHFFFAOYSA-N
Boiling Point
396.3ºC at 760mmHg
Flash Point
159.3ºC
Density
1.04g/cm³
EC Number
301-135-0
Exact Mass
271.15700
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The molecular formula of Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate is C17H21NO2.
When was Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate created?
Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate was created on August 8, 2005.
What is the molecular weight of Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The molecular weight of Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate is 271.35 g/mol.
How many hydrogen bond acceptors does Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate have?
Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate has 3 hydrogen bond acceptors.
What is the canonical SMILES representation of Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The canonical SMILES representation of Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate is CC1C=CCCC1(C)C=NC2=CC=CC=C2C(=O)OC.
What is the XLogP3-AA value of Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The XLogP3-AA value of Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate is 3.6.
How many rotatable bonds does Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate have?
Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate has 4 rotatable bonds.
What is the topological polar surface area of Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The topological polar surface area of Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate is 38.7 Ų.
Does Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate have any defined atom stereocenters?
No, Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate does not have any defined atom stereocenters.
Is Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate considered as the canonicalized compound?
Yes, Methyl 2-[[(dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate is considered as the canonicalized compound.
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