N-Benzyl-(S)-proline hydrochloride

CAS
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Purity
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CAS
92086-93-6
Size
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Purity
96%
Price
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Availability
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Quantity
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Catalog Number

ACM92086936

Product Name

N-Benzyl-(S)-proline hydrochloride

Structure

Structure

CAS

92086-93-6

Category

Heterocyclic Organic Compound

Synonyms

1-(Phenylmethyl)-L-proline Hydrochloride; (2S)-1-Benzylpyrrolidin-2-ylcarboxylic Acid Hydrochloride; (S)-Benzylproline Hydrochloride;

IUPAC Name

(2S)-1-benzylpyrrolidine-2-carboxylic acid;hydrochloride

Molecular Weight

241.71

Molecular Formula

C₁₂H₁₆ClNO₂

Canonical SMILES

C1CC(N(C1)CC2=CC=CC=C2)C(=O)O.Cl

InChI Key

ZNWHWMURQWRKED-MERQFXBCSA-N

Melting Point

201-203ºC

Appearance

Tan Solid

Exact Mass

241.08700

H-Bond Acceptor

3

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of N-Benzyl-(S)-proline hydrochloride?

The molecular formula of N-Benzyl-(S)-proline hydrochloride is C12H16ClNO2.

How is the molecular weight of N-Benzyl-(S)-proline hydrochloride calculated?

The molecular weight of N-Benzyl-(S)-proline hydrochloride is 241.71 g/mol.

What is the IUPAC name of N-Benzyl-(S)-proline hydrochloride?

The IUPAC name of N-Benzyl-(S)-proline hydrochloride is 1-benzylpyrrolidine-2-carboxylic acid hydrochloride.

What is the InChIKey for N-Benzyl-(S)-proline hydrochloride?

The InChIKey for N-Benzyl-(S)-proline hydrochloride is ZNWHWMURQWRKED-UHFFFAOYSA-N.

How many hydrogen bond donor counts does N-Benzyl-(S)-proline hydrochloride have?

N-Benzyl-(S)-proline hydrochloride has 2 hydrogen bond donor counts.

What is the topological polar surface area of N-Benzyl-(S)-proline hydrochloride?

The topological polar surface area of N-Benzyl-(S)-proline hydrochloride is 40.5 Å2.

Is N-Benzyl-(S)-proline hydrochloride a canonicalized compound?

Yes, N-Benzyl-(S)-proline hydrochloride is a canonicalized compound.

How many defined atom stereocenter counts does N-Benzyl-(S)-proline hydrochloride have?

N-Benzyl-(S)-proline hydrochloride has 0 defined atom stereocenter counts.

What is the Exact Mass of N-Benzyl-(S)-proline hydrochloride?

The Exact Mass of N-Benzyl-(S)-proline hydrochloride is 241.0869564 g/mol.

What is the complexity value of N-Benzyl-(S)-proline hydrochloride?

The complexity value of N-Benzyl-(S)-proline hydrochloride is 224.

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