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N-Benzyl-(S)-proline hydrochloride

CAS
92086-93-6
Catalog Number
ACM92086936
Category
Other Products
Molecular Weight
241.71
Molecular Formula
C12H16ClNO2

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Specification

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
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
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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