tert-Butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate

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CAS
960294-12-6
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Purity
96%
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Catalog Number

ACM960294126

Product Name

tert-Butyl 2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate

CAS

960294-12-6

Category

Heterocyclic Organic Compound

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

Molecular Weight

258.744460 [g/mol]

Molecular Formula

C12H19ClN2O2

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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 Å².

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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