CAS
912569-55-2 Purity
96%
912569-55-2 Purity
96%
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Ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate
CAS
912569-58-5
Catalog Number
ACM912569585
Category
Other Products
Molecular Weight
262.34738
Molecular Formula
C15H22N2O2
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Specification
Synonyms
ETHYL 2-(4-METHYLPERHYDRO-1,4-DIAZEPIN-1-YL)BENZOATE
What is the molecular formula of Ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate?
The molecular formula is C15H22N2O2.
What is the molecular weight of Ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate?
The molecular weight is 262.35 g/mol.
When was Ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate created and last modified?
It was created on 2007-12-04 and last modified on 2023-12-30.
What is the IUPAC name of Ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate?
The IUPAC name is ethyl 2-(4-methyl-1,4-diazepan-1-yl)benzoate.
What is the Canonical SMILES of Ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate?
The Canonical SMILES is CCOC(=O)C1=CC=CC=C1N2CCCN(CC2)C.
What is the InChIKey of Ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate?
The InChIKey is XAVHDPRFJKPWNA-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate have?
It has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of Ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate?
The topological polar surface area is 32.8?2.
Does Ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate have any defined bond stereocenter count?
No, it does not have any defined bond stereocenter count.
Is Ethyl 2-(4-methylperhydro-1,4-diazepin-1-yl)benzoate compound canonicalized?
Yes, the compound is canonicalized.
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