Methyl (3S)-3-amino-3-phenylpropanoate hydrochloride (1:1)

Basic Information

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CAS Number

144494-72-4

Molecular Formula

C10H14ClNO2

Molecular Weight

215.67 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

317.4°C at 760 mmHg

Flash Point

145.8°C

SMILES

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COC(=O)CC(C1=CC=CC=C1)N.Cl

InChI

InChI=1S/C10H13NO2.ClH/c1-13-10(12)7-9(11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H/t9-;/m0./s1

InChIKey

GYKTZBZYSKZYDB-FVGYRXGTSA-N

LogP

1.6712999999999998

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

164

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

methyl (3S)-3-amino-3-phenylpropanoate,hydrochloride
DTXSID10629140
Methyl (3S)-3-amino-3-phenylpropanoate--hydrogen chloride (1/1)
(S)-Methyl 3-amino-3-phenylpropanoate hydrochloride
DS-4273
AMY8952
EN300-74861
BCP13915
(s)-3-amino-3-phenyl propionic acid methylester hcl
AKOS008147964
(S)-beta3-phenylalanine methyl ester hydrochloride
3-Amino-3-phenyl-propionic acid methyl ester; hydrochloride;METHYL (S)-3-PHENYL-BETA-ALANINATE HCL
SCHEMBL6373800
(S)-3-Amino-3-phenyl propanoic acid methyl ester hydrochloride
Methyl (S)-3-Amino-3-Phenylpropanoate HCl
AC-27724
MFCD11052922
METHYL (S)-3-PHENYL-BETA-ALANINATE HCL
GYKTZBZYSKZYDB-FVGYRXGTSA-N
CS-0031396
(S)-3-Amino-3-phenyl-propionic acid methyl ester hydrochloride
(S)-Methyl3-Amino-3-phenylpropanoateHydrochloride
144494-72-4
methyl (3S)-3-amino-3-phenylpropanoate;hydrochloride
(s)-3-amino-3-phenylpropanoic acid methyl ester hcl
Methyl (S)-3-phenyl-beta-alaninate hydrochloride
methyl (3S)-3-amino-3-phenylpropanoate hydrochloride
(S)-Methyl 3-amino-3-phenylpropanoate, HCl
Benzenepropanoic acid, beta-amino-, methyl ester, hydrochloride (1:1), (betaS)-
(S) 3-AMINO 3-PHENYLPROPIONIC ACID METHYL ESTER HCL
Benzenepropanoic acid, b-amino-, methyl ester,hydrochloride (1:1), (bS)-

MDL Number

MFCD11052922

FAQ

What is Methyl (3S)-3-amino-3-phenylpropanoate hydrochloride (CAS: 144494-72-4)?

Methyl (3S)-3-amino-3-phenylpropanoate hydrochloride (CAS: 144494-72-4) is an organic compound commonly used in pharmaceuticals and research. It has a chemical formula of C11H14N2O2.HCl and is a white or off-white crystalline solid with a characteristic odor. It is soluble in water and has a pKa of approximately 1.3.

What are the main uses of Methyl (3S)-3-amino-3-phenylpropanoate hydrochloride (CAS: 144494-72-4)?

Methyl (3S)-3-amino-3-phenylpropanoate hydrochloride is primarily used as an intermediate in the synthesis of various pharmaceuticals and as a research reagent. It is also utilized in the development of new drugs and as a starting material for chemical modifications in medicinal chemistry.

Is Methyl (3S)-3-amino-3-phenylpropanoate hydrochloride (CAS: 144494-72-4) safe?

Methyl (3S)-3-amino-3-phenylpropanoate hydrochloride is generally safe when handled with appropriate precautions. However, it should be stored in a cool, dry place away from direct sunlight. Protective gloves and goggles should be worn during handling to prevent skin and eye contact. Inhalation of dust or vapors should be avoided, and proper ventilation is recommended.

How should Methyl (3S)-3-amino-3-phenylpropanoate hydrochloride (CAS: 144494-72-4) be stored?

Methyl (3S)-3-amino-3-phenylpropanoate hydrochloride (CAS: 144494-72-4) should be stored in a tightly sealed container at a temperature below 25°C and away from direct sunlight. The storage area should be dry and well-ventilated. It should be kept away from incompatible materials such as strong bases, oxidizers, and acidic substances. Regular checks for container integrity are essential to prevent any potential accidents.