CAS
92118-83-7 Purity
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92118-83-7 Purity
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4-(2-Oxiranyl)-1-piperidinecarboxylic acid 1,1-dimethylethylester
CAS
921199-39-5
Catalog Number
ACM921199395
Category
Other Products
Molecular Weight
227.302
Molecular Formula
C12H21NO3
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Specification
Synonyms
4-(2-Oxiranyl)-1-piperidinecarboxylic acid 1,1-dimethylethylester;4-(2-Oxiranyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
IUPAC Name
tert-butyl 4-(oxiran-2-yl)piperidine-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2CO2
InChI Key
MHJCAROLVBMINS-UHFFFAOYSA-N
Boiling Point
306.463ºC at 760 mmHg
Flash Point
139.144ºC
Density
1.122g/cm³
Exact Mass
227.15200
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the chemical compound with PubChem CID 53426216?
The molecular formula is C12H21NO3.
What are some synonyms for the chemical compound with PubChem CID 53426216?
Some synonyms include tert-Butyl 4-(oxiran-2-yl)piperidine-1-carboxylate and 4-(2-Oxiranyl)-1-piperidinecarboxylic acid 1,1-dimethylethylester.
When was the compound first created and last modified?
The compound was first created on 2011-10-30 and last modified on 2023-12-30.
What is the InChIKey of the compound?
The InChIKey is MHJCAROLVBMINS-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptors.
What is the exact mass of the compound?
The exact mass is 227.15214353 g/mol.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bonds.
What is the topological polar surface area of the compound?
The topological polar surface area is 42.1 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the molecular weight of the compound?
The molecular weight is 227.30 g/mol.
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