Methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate

CAS
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CAS
94248-34-7
Size
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Purity
96%
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Catalog Number

ACM94248347

Product Name

Methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate

Structure

Structure

CAS

94248-34-7

Category

Heterocyclic Organic Compound

Synonyms

94248-34-7, AC1MIFVB, CTK5H6086, methyl 2-[(1,2,2-trimethylcyclohex-3-en-1-yl)methylideneamino]benzoate

IUPAC Name

methyl 2-[(1,2,2-trimethylcyclohex-3-en-1-yl)methylideneamino]benzoate

Molecular Weight

285.380720 [g/mol]

Molecular Formula

C₁₈H₂₃NO₂

Canonical SMILES

CC1(C=CCCC1(C)C=NC2=CC=CC=C2C(=O)OC)C

InChI Key

ZEIURLXALIRALL-UHFFFAOYSA-N

EC Number

304-306-8

H-Bond Acceptor

3

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?

The molecular formula is C18H23NO2.

When was the PubChem CID 3024139 created and last modified?

It was created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC name of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?

The IUPAC name is methyl 2-[(1,2,2-trimethylcyclohex-3-en-1-yl)methylideneamino]benzoate.

What is the InChIKey of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?

The InChIKey is ZEIURLXALIRALL-UHFFFAOYSA-N.

What is the Canonical SMILES representation of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?

The Canonical SMILES representation is CC1(C=CCCC1(C)C=NC2=CC=CC=C2C(=O)OC).

What is the CAS Number of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?

The CAS Number is 94248-34-7.

What is the molecular weight of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?

The molecular weight is 285.4 g/mol.

How many hydrogen bond acceptors does methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate have?

It has 3 hydrogen bond acceptors.

What is the topological polar surface area of methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?

The topological polar surface area is 38.7 Å².

Is methyl 2-[[(trimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate a canonicalized compound?

Yes, it is canonicalized.

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