CAS
942144-41-4 Purity
96%
942144-41-4 Purity
96%
![Carbamic acid,N-[(1S)-1-(hydroxymethyl)-2-(tetrahydro-2H-pyran-3-yl)ethyl]-,1,1-dimethylethyl ester](https://resource.alfa-chemistry.com/structure/942144-42-5.gif)
![Carbamic acid,N-[(1S)-1-(hydroxymethyl)-2-[(3R)-tetrahydro-2H-pyran-3-yl]ethyl]-,1,1-dimethylethyl ester](https://resource.alfa-chemistry.com/structure/942144-43-6.gif)
![Azepino[4,5-b]indole-5-carboxylic acid,8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-,1-methylethyl ester](https://resource.alfa-chemistry.com/structure/942148-30-3.gif)
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1,2,3,6-Tetrahydro-1,1-dimethyl-azepino[4,5-b]indole-5-carboxylic acid 1-methylethyl ester
CAS
942145-77-9
Catalog Number
ACM942145779
Category
Other Products
Molecular Formula
C18H22N2O2
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Specification
Synonyms
Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester
What is the molecular formula of the compound with PubChem CID 25223263?
The molecular formula is C18H22N2O2.
What are some synonyms of the compound?
Some synonyms include Isopropyl 1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, propan-2-yl 1,1-dimethyl-3,6-dihydro-2H-azepino[4,5-b]indole-5-carboxylate, and Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester.
What is the molecular weight of the compound?
The molecular weight is 298.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is propan-2-yl 1,1-dimethyl-3,6-dihydro-2H-azepino[4,5-b]indole-5-carboxylate.
What is the InChIKey of the compound?
The InChIKey is LWOPKUFMTHTYQL-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA of the compound?
The XLogP3-AA is 3.8.
What is the topological polar surface area of the compound?
The topological polar surface area is 54.1 Ų.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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