Benzyl L-prolinate hydrochloride (1:1)

Basic Information

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CAS Number

16652-71-4

Molecular Formula

C12H16ClNO2

Molecular Weight

241.72 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

148-151 °C

Boiling Point

309 oC at 760 mmHg

Density

1.1210

Water Solubility

miscible

Flash Point

140.7℃

Refractive Index

1.4365

Vapor Pressure

No data available

Specific Rotation

-44 º (c=1, methanol)

SMILES

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C1CC(NC1)C(=O)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C12H15NO2.ClH/c14-12(11-7-4-8-13-11)15-9-10-5-2-1-3-6-10;/h1-3,5-6,11,13H,4,7-9H2;1H/t11-;/m0./s1

InChIKey

NEDMOHHWRPHBAL-MERQFXBCSA-N

LogP

1.9035999999999995

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

212

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Hygroscopic

Synonyms & References

English

MFCD00039002
Benzyl L-prolinate hydrochloride
HY-W012071
L-Proline benzyl ester, HCl
Pro-OBn hydrochloride
AC-19233
H-Pro-OBn.HCl
16652-71-4
(S)-benzyl pyrrolidine-2-carboxylate hydrochloride
60668-01-1
NSC-71043
ZK3TE62WVS
NEDMOHHWRPHBAL-MERQFXBCSA-N
L-proline-benzyl ester hydrochloride
Pro-OBn.HCl
L-Proline benzyl ester hydrochloride
L-proline, benzyl ester hydrochloride
L-Proline, phenylmethyl ester, hydrochloride
CS-W012787
L-proline benzyl ester hydrochloric acid
W-107922
NS00052612
L-proline benzylester hydrochloride
I11506
L-Proline benzyl ester hydrochloride, 98%
EN300-7359705
F0001-0607
benzyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
P1727
DTXSID001347023
L-proline-O-benzyl ester hydrochloride

MDL Number

MFCD00039002

Customs Code

2933990090

FAQ

What is Benzyl L-prolinate hydrochloride (CAS: 16652-71-4)?

Benzyl L-prolinate hydrochloride (CAS: 16652-71-4) is a salt derived from benzyl proline and hydrochloric acid. It is a white or off-white crystalline solid with a molecular formula of C14H19NO3HCl and a molecular weight of approximately 274.83. This compound is known for its stability and is used in pharmaceutical applications.

What are the main uses of Benzyl L-prolinate hydrochloride (CAS: 16652-71-4)?

Benzyl L-prolinate hydrochloride is primarily used in the pharmaceutical industry as an analgesic and antipyretic agent. It is also employed in research for studying proline derivatives and their biological activities.

Is Benzyl L-prolinate hydrochloride (CAS: 16652-71-4) safe?

Benzyl L-prolinate hydrochloride is considered safe when handled properly. It is not toxic to humans, but prolonged exposure to the skin can cause irritation. Users should avoid contact with eyes and skin and wear appropriate personal protective equipment. It is important to follow the Material Safety Data Sheet (MSDS) guidelines for safe handling and disposal.

How should Benzyl L-prolinate hydrochloride (CAS: 16652-71-4) be stored?

Benzyl L-prolinate hydrochloride should be stored in a cool, dry place away from direct sunlight and heat sources. It is stable at room temperature but should be kept in a tightly sealed container to prevent moisture absorption. Store in a well-ventilated area and avoid contact with incompatible materials such as strong bases and oxidizing agents.