CAS
960283-58-3 Purity
96%
960283-58-3 Purity
96%
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tert-Butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate
CAS
960294-15-9
Catalog Number
ACM960294159
Category
Other Products
Molecular Weight
272.771040 [g/mol]
Molecular Formula
C13H21ClN2O2
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Specification
Synonyms
tert-butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate, 960294-15-9, AKOS016011555, AK120774, KB-260215, AM20120387, FT-0688620, 1-Piperidinecarboxylic acid, 2-(2-chloroethyl)-2-cyano-, 1,1-dimethylethyl ester
IUPAC Name
tert-butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCCCC1(CCCl)C#N
InChI Key
FEEDIFKYUSSXSF-UHFFFAOYSA-N
Exact Mass
272.12900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of tert-Butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate?
Molecular Formula: C13H21ClN2O2
When was tert-Butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate created in PubChem?
Created: 2008-03-03
What is the molecular weight of tert-Butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate?
Molecular Weight: 272.77 g/mol
What is the IUPAC Name of tert-Butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate?
IUPAC Name: tert-butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate
What is the Canonical SMILES of tert-Butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate?
Canonical SMILES: CC(C)(C)OC(=O)N1CCCCC1(CCCl)C#N
How many hydrogen bond acceptor counts does tert-Butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate have?
Hydrogen Bond Acceptor Count: 3
What is the Topological Polar Surface Area of tert-Butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate?
Topological Polar Surface Area: 53.3 Ų
Does tert-Butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate have a defined atom stereocenter count?
Defined Atom Stereocenter Count: 0
What is the XLogP3-AA value of tert-Butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate?
XLogP3-AA: 2.5
Is tert-Butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate the canonicalized compound?
Compound Is Canonicalized: Yes
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