CAS
904817-62-5 Purity
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904817-62-5 Purity
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(1-Cyano-cycloheptyl)-carbamic acid tert-butyl ester
CAS
904817-73-8
Catalog Number
ACM904817738
Category
Other Products
Molecular Weight
238.33
Molecular Formula
C13H22N2O2
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Specification
Synonyms
(1-CYANO-CYCLOHEPTYL)-CARBAMIC ACID TERT-BUTYL ESTER
What is the molecular formula of (1-Cyano-cycloheptyl)-carbamic acid tert-butyl ester?
The molecular formula is C13H22N2O2.
When was the compound created and last modified?
The compound was created on 2007-10-02 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is tert-butyl N-(1-cyanocycloheptyl)carbamate.
What is the InChI code for the compound?
The InChI code is InChI=1S/C13H22N2O2/c1-12(2,3)17-11(16)15-13(10-14)8-6-4-5-7-9-13/h4-9H2,1-3H3,(H,15,16).
What is the InChIKey for the compound?
The InChIKey is RGOITEVRWMIEDH-UHFFFAOYSA-N.
What is the Canonical SMILES for the compound?
The Canonical SMILES is CC(C)(C)OC(=O)NC1(CCCCCC1)C#N.
What is the molecular weight of the compound?
The molecular weight is 238.33 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 62.1 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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