CAS
94021-63-3 Purity
96%
94021-63-3 Purity
96%
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Methyl 2-[[(octahydro-5,5-dimethyl-1-naphthyl)methylene]amino]benzoate
CAS
94021-67-7
Catalog Number
ACM94021677
Category
Other Products
Molecular Weight
325.444580 [g/mol]
Molecular Formula
C21H27NO2
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Specification
Synonyms
EINECS 301-461-3, Methyl 2-(((octahydro-5,5-dimethyl-1-naphthyl)methylene)amino)benzoate, 94021-67-7
IUPAC Name
methyl 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate
SMILES
CC1(CCC=C2C1CCCC2C=NC3=CC=CC=C3C(=O)OC)C
InChI Key
MZXNHAWDQVIETF-UHFFFAOYSA-N
EC Number
301-461-3
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Methyl 2-[[(octahydro-5,5-dimethyl-1-naphthyl)methylene]amino]benzoate?
The molecular formula is C21H27NO2.
What is the molecular weight of Methyl 2-[[(octahydro-5,5-dimethyl-1-naphthyl)methylene]amino]benzoate?
The molecular weight is 325.4 g/mol.
When was Methyl 2-[[(octahydro-5,5-dimethyl-1-naphthyl)methylene]amino]benzoate created and last modified?
It was created on December 10, 2008, and last modified on December 30, 2023.
What is the IUPAC name of Methyl 2-[[(octahydro-5,5-dimethyl-1-naphthyl)methylene]amino]benzoate?
The IUPAC name is methyl 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl)methylideneamino]benzoate.
What is the InChI of Methyl 2-[[(octahydro-5,5-dimethyl-1-naphthyl)methylene]amino]benzoate?
The InChI is InChI=1S/C21H27NO2/c1-21(2)13-7-10-16-15(8-6-11-18(16)21)14-22-19-12-5-4-9-17(19)20(23)24-3/h4-5,9-10,12,14-15,18H,6-8,11,13H2,1-3H3.
What is the InChIKey of Methyl 2-[[(octahydro-5,5-dimethyl-1-naphthyl)methylene]amino]benzoate?
The InChIKey is MZXNHAWDQVIETF-UHFFFAOYSA-N.
What is the Canonical SMILES of Methyl 2-[[(octahydro-5,5-dimethyl-1-naphthyl)methylene]amino]benzoate?
The Canonical SMILES is CC1(CCC=C2C1CCCC2C=NC3=CC=CC=C3C(=O)OC).
How many hydrogen bond donor counts does Methyl 2-[[(octahydro-5,5-dimethyl-1-naphthyl)methylene]amino]benzoate have?
It has 0 hydrogen bond donor count.
What is the XLogP3-AA value for Methyl 2-[[(octahydro-5,5-dimethyl-1-naphthyl)methylene]amino]benzoate?
The XLogP3-AA value is 4.8.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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