D-Homocitrulline

Basic Information

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CAS Number

121080-96-4

Molecular Formula

C7H15N3O3

Molecular Weight

189.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

SMILES

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C(CCNC(=O)N)CC(C(=O)O)N

InChI

InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m1/s1

InChIKey

XIGSAGMEBXLVJJ-RXMQYKEDSA-N

LogP

-0.763099999999999

Topological Polar Surface Area

118.44 Å²

Hydrogen Bond Donor/Acceptor

6 / 6

Complexity

184

Synonyms & References

English

D-Lysine, N6-(aminocarbonyl)-
(2R)-2-amino-6-(carbamoylamino)hexanoic acid
A891964
(R)-2-Amino-6-ureidohexanoic acid
AKOS016843065
H-D-Homocit-OH
(R)-2-Amino-6-ureidohexanoicacid
121080-96-4
MFCD00237406
837O9SMA7A
UNII-837O9SMA7A
N-Epsilon-carbamoyl-D-lysine
D-Homo-citrulline (H-D-hCit-OH)
(2R)-2-azaniumyl-6-(carbamoylamino)hexanoate
Homocitrulline, D-
AS-10227
SCHEMBL8871251
N6-(Aminocarbonyl)-D-lysine
(2R)-2-Ammonio-6-(carbamoylamino)hexanoate
D-HOMOCITRULLINE
DTXSID80426461
J-004439
D-Homocitrulline
D-Homoserine
D-Lysine,N6-(aminocarbonyl)-
H-D-Hcit-OH
H-D-HCI-OH
D-HOCIT-OH
H-D-HOCIT-OH
D-HomoCit-OH
D-homocitruline

MDL Number

MFCD00237406

FAQ

What are the physical and chemical properties of D-Homocitrulline (CAS: 121080-96-4)?

D-Homocitrulline (CAS: 121080-96-4) is a crystalline compound with a molecular weight of approximately 164.17 g/mol. It is sparingly soluble in water. Chemically, it is relatively stable but can undergo hydrolysis under basic conditions. It is an amphoteric compound, displaying both acidic and basic properties.

How is D-Homocitrulline (CAS: 121080-96-4) typically synthesized?

D-Homocitrulline (CAS: 121080-96-4) is usually synthesized through the condensation of L-homocitrulline with various reagents. The synthesis can be achieved using amino acid derivatives and suitable catalysts such as acids or bases, yielding a high selectivity and good yield. The reaction involves careful control of pH and temperature to ensure optimal conditions.

What industries use D-Homocitrulline (CAS: 121080-96-4)?

D-Homocitrulline (CAS: 121080-96-4) is used in a variety of industries. It is particularly important in the pharmaceutical industry for its potential as a dietary supplement and in the development of new drugs. It also has applications in the food industry for enhancing flavor and as a food additive. Additionally, it is used in the production of polymers and in the development of new materials for sensors and semiconductors.

What precautions should be taken when handling D-Homocitrulline (CAS: 121080-96-4)?

When handling D-Homocitrulline (CAS: 121080-96-4), it is essential to follow standard laboratory safety protocols. Wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, neutralize the area with an appropriate cleaning agent and dispose of any contaminated materials according to local waste regulations. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.