Benzyl L-leucinate 4-methylbenzenesulfonate (1:1)

Basic Information

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CAS Number

1738-77-8

Molecular Formula

C20H27NO5S

Molecular Weight

393.51 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

Basic Physical Properties

Melting Point

156.0 to 160.0 deg-C

Boiling Point

302.5 ℃ at 760 mmHg

Flash Point

157.6 ºC

Refractive Index

5 ° (C=2, DMF)

Specific Rotation

5° (c=2, DMF)

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC(C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C13H19NO2.C7H8O3S/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t12-;/m0./s1

InChIKey

QTQGHKVYLQBJLO-YDALLXLXSA-N

LogP

3.344920000000001

Topological Polar Surface Area

106.69 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

416

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

4-methylbenzenesulfonate;[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]azanium
H-Leu-OBzl TsOH
L-Leucine Benzyl Ester p-Toluenesulfonate
SCHEMBL717091
AKOS015889629
PD196390
QTQGHKVYLQBJLO-YDALLXLXSA-N
L-Leucinebenzylesterp-toluenesulfonatesalt
AM81882
L-leucine benzyl ester p-toluenesulfonic acid salt
CS-W002303
L-Leucine benzyl ester p-toluenesulfonate salt, >=99.0% (T)
leucine benzyl ester p-toluene sulfonate
HY-W002303
L-Leucine, phenylmethyl ester, 4-methylbenzenesulfonate (1:1)
H-Leu-OBzl. Tos
DTXSID70169658
L-Leucine benzyl ester p-toluenesulfonate salt
MFCD00066117
leucine benzyl ester p-toluenesulfonate
(S)-Benzyl 2-amino-4-methylpentanoate 4-methylbenzenesulfonate
J-300165
AS-13506
1738-77-8
benzyl (2S)-2-amino-4-methylpentanoate;4-methylbenzenesulfonic acid
NS00025707
Benzyl L-leucinate p-toluenesulfonate
Leu-Obzl TosOH
Q-101702
H-Leu-OBzl p-toluenesulfonate
AKOS015924109

MDL Number

MFCD00066117

Customs Code

2922499990

FAQ

What is Benzyl L-leucinate 4-methylbenzenesulfonate (CAS: 1738-77-8)?

Benzyl L-leucinate 4-methylbenzenesulfonate (CAS: 1738-77-8) is a derivative compound used in pharmaceuticals and research. It is a white to off-white crystalline powder with a molecular formula of C16H18N2O4S. This compound is characterized by its stability and solubility in various organic solvents.

What are the main uses of Benzyl L-leucinate 4-methylbenzenesulfonate (CAS: 1738-77-8)?

Benzyl L-leucinate 4-methylbenzenesulfonate (CAS: 1738-77-8) is primarily used in pharmaceutical research for its potential as a prodrug or as a carrier molecule. It also finds applications in the formulation of certain medications, where it can enhance drug delivery or stability.

Is Benzyl L-leucinate 4-methylbenzenesulfonate (CAS: 1738-77-8) safe?

Benzyl L-leucinate 4-methylbenzenesulfonate (CAS: 1738-77-8) is generally considered safe under normal usage conditions. However, as with any chemical, it should be handled with care. Exposure to skin or eyes should be avoided, and it should be stored away from direct sunlight and heat. Always follow safety guidelines and use appropriate personal protective equipment when handling this compound.

How should Benzyl L-leucinate 4-methylbenzenesulfonate (CAS: 1738-77-8) be stored?

Benzyl L-leucinate 4-methylbenzenesulfonate (CAS: 1738-77-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Ideally, the storage temperature should be below 25°C (77°F) and relative humidity must be controlled to maintain its stability. Avoid storage in areas with high humidity to prevent degradation.