CAS
96027-84-8 Purity
96%
96027-84-8 Purity
96%
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tert-Butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
CAS
960294-12-6
Catalog Number
ACM960294126
Category
Other Products
Molecular Weight
258.744460 [g/mol]
Molecular Formula
C12H19ClN2O2
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Specification
Synonyms
tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate, 960294-12-6, AKOS016011531, AK120773, KB-260216, AM20120386, FT-0688619, 1-Pyrrolidinecarboxylic acid, 2-(2-chloroethyl)-2-cyano-, 1,1-dimethylethyl ester
IUPAC Name
tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCCC1(CCCl)C#N
InChI Key
HYQLUBITXSSPQS-UHFFFAOYSA-N
Exact Mass
258.11400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate?
The molecular formula is C12H19ClN2O2.
When was tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate created in PubChem?
It was created on 2008-03-03.
What is the IUPAC name of tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate?
The IUPAC name is tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate.
What is the InChIKey of tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate?
The InChIKey is HYQLUBITXSSPQS-UHFFFAOYSA-N.
What is the XLogP3-AA value of tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate?
The XLogP3-AA value is 2.2.
How many hydrogen bond acceptors does tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate have?
It has 3 hydrogen bond acceptors.
What is the exact mass of tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate?
The exact mass is 258.1135055 g/mol.
What is the topological polar surface area of tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate?
The topological polar surface area is 53.3 Ų.
How many heavy atoms are present in tert-butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate?
There are 17 heavy atoms.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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