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

MSDS COA Spec Sheet

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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

Canonical 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

H-Bond Donor

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 Å².

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.