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Structure

(R)-1-N-Boc-2-cyanopiperidine

CAS
940000-26-0
Catalog Number
ACM940000260
Category
Other Products
Molecular Weight
210.27
Molecular Formula
C11H18N2O2

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Specification

Synonyms
(2R)-2-Cyano-1-piperidinecarboxylic acid 1,1-dimethylethyl ester;(R)-N-Boc-2-Cyanopiperidine
IUPAC Name
tert-butyl (2R)-2-cyanopiperidine-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCCCC1C#N
InChI Key
LKAJZBMOVZIKHA-SECBINFHSA-N
Boiling Point
325.3ºC at 760 mmHg
Flash Point
150.5ºC
Density
1.07g/cm³
Exact Mass
210.13700
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
0
Safety Description
26-36/37/39
What is the molecular formula of (R)-1-N-Boc-2-cyanopiperidine?

The molecular formula is C11H18N2O2.

What is the molecular weight of (R)-1-N-Boc-2-cyanopiperidine?

The molecular weight is 210.27 g/mol.

What is the IUPAC name of (R)-1-N-Boc-2-cyanopiperidine?

The IUPAC name is tert-butyl (2R)-2-cyanopiperidine-1-carboxylate.

What is the InChI of (R)-1-N-Boc-2-cyanopiperidine?

The InChI is InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-7H2,1-3H3/t9-/m1/s1.

What is the InChIKey of (R)-1-N-Boc-2-cyanopiperidine?

The InChIKey is LKAJZBMOVZIKHA-SECBINFHSA-N.

What is the canonical SMILES of (R)-1-N-Boc-2-cyanopiperidine?

The canonical SMILES is CC(C)(C)OC(=O)N1CCCCC1C#N.

How many hydrogen bond donor counts are there in (R)-1-N-Boc-2-cyanopiperidine?

There are 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in (R)-1-N-Boc-2-cyanopiperidine?

There are 3 hydrogen bond acceptor counts.

How many rotatable bond counts are there in (R)-1-N-Boc-2-cyanopiperidine?

There are 2 rotatable bond counts.

Is (R)-1-N-Boc-2-cyanopiperidine a canonicalized compound?

Yes, it is a canonicalized compound.

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