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Structure

1-Boc-3-cyanopiperidine

CAS
91419-53-3
Catalog Number
ACM91419533
Category
Other Products
Molecular Weight
210.27
Molecular Formula
C11H18N2O2

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Specification

Synonyms
1-N-Boc-3-cyanopiperidine, n-boc-3-cyanopiperidine, 91419-53-3, 1-Boc-3-cyanopiperidine, tert-butyl 3-cyanopiperidine-1-carboxylate, N-Boc-3-cyano-piperidine, (+/-)-1-n-boc-3-cyano-piperidine, 1-n-boc-piperidine-3-carbonitrile, SBB066832, AG-H-75101, 3-cyano-piperidine-1-carboxylic acid tert-butyl ester, PubChem7634, AC1MBUD4, SureCN1970337, 1-n-boc-3-cyano-piperidine, KSC495C3N, AC1Q1N35, CTK3J5136, MolPort-000-151-677, BH572
IUPAC Name
tert-butyl 3-cyanopiperidine-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C#N
InChI Key
UEFZTXGFHKPSFS-UHFFFAOYSA-N
Boiling Point
325.3ºC at 760 mmHg
Flash Point
150.5ºC
Density
1.07g/cm³
Exact Mass
210.13700
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 1-Boc-3-cyanopiperidine?

The molecular formula of 1-Boc-3-cyanopiperidine is C11H18N2O2.

What is the molecular weight of 1-Boc-3-cyanopiperidine?

The molecular weight of 1-Boc-3-cyanopiperidine is 210.27 g/mol.

What are some synonyms for 1-Boc-3-cyanopiperidine?

Some synonyms for 1-Boc-3-cyanopiperidine include 91419-53-3, 1-N-Boc-3-cyanopiperidine, and n-boc-3-cyanopiperidine.

When was 1-Boc-3-cyanopiperidine created and last modified?

1-Boc-3-cyanopiperidine was created on 2005-07-19 and last modified on 2023-12-30.

What is the InChIKey for 1-Boc-3-cyanopiperidine?

The InChIKey for 1-Boc-3-cyanopiperidine is UEFZTXGFHKPSFS-UHFFFAOYSA-N.

What is the XLogP3-AA value of 1-Boc-3-cyanopiperidine?

The XLogP3-AA value of 1-Boc-3-cyanopiperidine is 1.3.

How many hydrogen bond acceptors are present in 1-Boc-3-cyanopiperidine?

There are 3 hydrogen bond acceptors present in 1-Boc-3-cyanopiperidine.

What is the topological polar surface area of 1-Boc-3-cyanopiperidine?

The topological polar surface area of 1-Boc-3-cyanopiperidine is 53.3 Å2.

How many rotatable bonds are there in 1-Boc-3-cyanopiperidine?

There are 2 rotatable bonds in 1-Boc-3-cyanopiperidine.

Is the compound canonicalized for 1-Boc-3-cyanopiperidine?

Yes, the compound is canonicalized for 1-Boc-3-cyanopiperidine.

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