(2S)-1-(Benzyloxy)-1-oxo-3-phenyl-2-propanaminium chloride

Basic Information

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CAS Number

2462-32-0

Molecular Formula

C16H18ClNO2

Molecular Weight

291.78 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 Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

203°C

Boiling Point

382.8℃ at 760 mmHg

Flash Point

382.8 °C at 760 mmHg

Refractive Index

-12 ° (C=1, 80% acetic acid)

Specific Rotation

-13 º (c=1% in 80% acetic acid)

SMILES

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C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C16H17NO2.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H/t15-;/m0./s1

InChIKey

CEXFHIYDTRNBJD-RSAXXLAASA-N

LogP

2.721600000000001

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

268

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

Synonyms & References

English

AS-12209
MFCD00043249
H-PHE-OBZL HCL
P1718
SCHEMBL353729
L-Phenylalaninbenzylesterhydrochlorid
L-Phenylalanine benzyl ester, HCl
CS-W020561
AKOS015922770
W-107292
HY-79908A
L-Phenylalanine, phenylmethyl ester, hydrochloride (1:1)
AM20040001
A817403
PD196135
2462-32-0
benzyl (2S)-2-amino-3-phenyl-propanoate hydrochloride
H-Phe-OBzl.HCl
(S)-Benzyl 2-amino-3-phenylpropanoate hydrochloride
Phenylalanine, phenylmethyl ester, hydrochloride
L-PHENYLALANINE BENZYL ESTER HCL
L-Phe-OBZl.HCl
CEXFHIYDTRNBJD-RSAXXLAASA-N
benzyl l-phenylalaninate hydrochloride
L-Phenylalanine benzyl ester (hydrochloride)
L-Phenylalanine benzyl ester hydrochloride
AKOS015889857
benzyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
benzyl phenylalaninate hydrochloride
NS00081507
L-Phenylalanine benzyl ester hydrochloride, >=99.0% (AT)

MDL Number

MFCD00043249

Customs Code

2922499990

FAQ

What regulatory guidelines apply to (2S)-1-(Benzyloxy)-1-oxo-3-phenyl-2-propanaminium chloride (CAS: 2462-32-0)?

The compound (2S)-1-(Benzyloxy)-1-oxo-3-phenyl-2-propanaminium chloride (CAS: 2462-32-0) falls under the scope of the REACH regulations in the European Union, which requires manufacturers and importers to register their substances if they are manufactured or imported in quantities exceeding one tonne per year. The compound may also be subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which includes specific labeling requirements. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may have additional regulations, particularly if the compound is intended for use in pharmaceuticals or consumer products.

Are there alternatives to (2S)-1-(Benzyloxy)-1-oxo-3-phenyl-2-propanaminium chloride (CAS: 2462-32-0) in synthesis?

Several alternatives to (2S)-1-(Benzyloxy)-1-oxo-3-phenyl-2-propanaminium chloride (CAS: 2462-32-0) exist in synthesis. Common alternatives include other amines or amine derivatives that can serve as similar functional groups in organic reactions. For example, hydroxyamino acids or related amine salts can be used as precursors or reagents in analogous synthetic processes. The choice of alternative depends on the desired properties and the reaction conditions.

What is the market or research trend for (2S)-1-(Benzyloxy)-1-oxo-3-phenyl-2-propanaminium chloride (CAS: 2462-32-0)?

The market for (2S)-1-(Benzyloxy)-1-oxo-3-phenyl-2-propanaminium chloride (CAS: 2462-32-0) is influenced by its potential applications in pharmaceutical and chemical industries. Research trends are driven by its use as a precursor in the synthesis of various compounds and its role in drug discovery. Emerging research focuses on its efficacy in medicinal chemistry and its potential as a component in new drug formulations. The compound's market is expected to grow as it continues to find new applications in diverse chemical and pharmaceutical sectors.

How should waste containing (2S)-1-(Benzyloxy)-1-oxo-3-phenyl-2-propanaminium chloride (CAS: 2462-32-0) be handled?

Waste containing (2S)-1-(Benzyloxy)-1-oxo-3-phenyl-2-propanaminium chloride (CAS: 2462-32-0) should be managed according to local hazardous waste regulations. The waste should be collected in appropriate containers and stored in a secure, well-ventilated area away from incompatible materials. For disposal, it is recommended to use professional waste disposal services that handle hazardous chemicals. Environmental precautions include ensuring no leakage or spillage to prevent contamination of soil or water. Incineration may be an appropriate method for disposal, but this should be conducted at a facility with the necessary permits and safety measures in place.