Homocysteine | CAS No. 454-29-5

Homocysteine

Basic Information

View in Editor

CAS Number

454-29-5

Molecular Formula

C4H9NO2S

Molecular Weight

135.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

232-233 °C

Boiling Point

299.7 °C at 760 mmHg

Solubility

H2O: soluble

Refractive Index

1.5480 (estimate)

SMILES

View in Editor

C(CS)C(C(=O)O)N

InChI

InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)

InChIKey

FFFHZYDWPBMWHY-UHFFFAOYSA-N

LogP

-0.28180000000000033

pKa

2.22, 8.87, 10.86(at 25℃)

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

86.1

Safety Information

View Safety Information

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

CS-W021561
1C51025E-77A8-4D48-8DC1-692A15D7F9D4
C05330
EINECS 207-222-9
454-29-5
NSC118376
NSC_778
NSC 206252
NSC-206252
DL-Homocysteine
2-Amino-4-mercaptobutanoic acid
MFCD00004898
2-Amino-4-mercaptobutyric acid
s2994
Butyric acid, 2-amino-4-mercapto-
DL-Homocysteine, analytical standard
USAF B-12
UNII-S7IJP4A89K
NSC43117
454-28-4
NS00014832
Homocysteine #
Homocysteine, dl-
DL-Homocysteine (free base)
Homocysteine, L-
DL-Homocysteine, 90%
A826795
(+-)-Homocysteine
D90809
FT-0693199
AMY25680

MDL Number

MFCD00004898

Customs Code

2930909090

FAQ

What are the physical and chemical properties of Homocysteine (CAS: 454-29-5)?

Homocysteine (CAS: 454-29-5) is a colorless, crystalline solid with a molecular weight of approximately 135.17 g/mol. It is slightly soluble in water and ethanol. Homocysteine is highly reactive, especially due to its thiol group, which readily undergoes oxidation and conjugation reactions.

How is Homocysteine (CAS: 454-29-5) typically synthesized?

Homocysteine (CAS: 454-29-5) can be synthesized through the transsulfuration pathway involving cystathionine β-synthase or by the condensation of homoserine with carbon dioxide in the presence of a suitable catalyst. Commonly, it is produced via microbial fermentation or chemical synthesis using amino acid precursors.

What industries use Homocysteine (CAS: 454-29-5)?

Homocysteine (CAS: 454-29-5) is utilized in various industries, including pharmaceuticals for treating homocystinuria and other metabolic disorders, food additives for enhancing nutritional benefits, and as a precursor in the synthesis of other cysteine derivatives for industrial applications.

What precautions should be taken when handling Homocysteine (CAS: 454-29-5)?

When handling Homocysteine (CAS: 454-29-5), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be conducted in a well-ventilated area or fume hood due to its reactivity. Spills should be managed with care, and safety data sheets (SDS) should be referenced for detailed emergency procedures.