N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanine

Basic Information

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CAS Number

79-83-4

Molecular Formula

C9H17NO5

Molecular Weight

219.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

178-179 ºC

Boiling Point

551.5°C at 760 mmHg

Density

1.266

Flash Point

287.3 °C

Refractive Index

1.4315 (estimate)

Specific Rotation

D25 +37.5°

SMILES

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CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O

InChI

InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1

InChIKey

GHOKWGTUZJEAQD-ZETCQYMHSA-N

LogP

-1.0432999999999986

Topological Polar Surface Area

106.86000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

239

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

Pantothenic acid
(R)-3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propanoic acid
b-Alanine,N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-
Calcium-D-pantothenate
D-PANTOTHENIC ACID
Pantothenic Acid (Technical Grade, Contains Lactone)
(R)-Pantothenate
Ca pantothenaat
Chick antidermatitis factor
D(+)-N-(2,4-Dihydroxy- 3,3-diMethylbutyryl)-β-alanine
d-pantothenicaci
D-VITAMIN B(5)
kyselinapantothenova
PANTOTHENATE
Pantothenic
Vitamin B5
(R)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine
D-Pantothenic acid

MDL Number

MFCD00020513

FAQ

What is N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanine (CAS: 79-83-4)?

N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanine is a cyclic amino acid derivative. It has the chemical formula C11H21NO5 and can be used in pharmaceutical and research applications due to its structural properties.

What are the main uses of N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanine (CAS: 79-83-4)?

N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanine is primarily used in the pharmaceutical industry for its potential in drug development and as a research tool. It is also explored in cosmetic formulations for its possible skin conditioning benefits.

Is N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanine (CAS: 79-83-4) safe?

N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanine is considered safe when handled properly. It is non-toxic and should be stored away from children and pets. Wear gloves and protective eyewear during handling to avoid skin contact and eye irritation. Follow standard safety protocols.

How should N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanine (CAS: 79-83-4) be stored?

Store N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanine in a cool, dry place, away from direct sunlight and heat sources. Maintain a temperature below 25°C (77°F). Keep the compound in a tightly sealed container to ensure its stability and purity.