3-Cyclohexylalanine hydrate (1:1)

Basic Information

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CAS Number

307310-72-1

Molecular Formula

C9H19NO3

Molecular Weight

189.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

234-237 °C

Boiling Point

387°C at 760 mmHg

Flash Point

187.9°C

SMILES

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C1CCC(CC1)CC(C(=O)O)N.O

InChI

InChI=1S/C9H17NO2.H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h7-8H,1-6,10H2,(H,11,12);1H2/t8-;/m0./s1

InChIKey

HDJQIWAIDCEDEF-QRPNPIFTSA-N

LogP

0.5439999999999996

Topological Polar Surface Area

94.82 Å²

Hydrogen Bond Donor/Acceptor

5 / 4

Complexity

153

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

307310-72-1
(2S)-2-amino-3-cyclohexylpropanoic acid;hydrate
Cyclohexanepropanoic acid, alpha-amino-, hydrate (1:1), (alphaS)-
(S)-2-Amino-3-cyclohexylpropanoic acid hydrate
3-Cyclohexyl-L-alanine--water (1/1)
DS-13052
SCHEMBL2651079
CS-0042555
AKOS024257966
(S)-(+)-alpha-Aminocyclohexanepropionic acid hydrate, technical grade
(S)-2-Amino-3-cyclohexylpropanoicacidhydrate
F14510
HDJQIWAIDCEDEF-QRPNPIFTSA-N
(S)-(+)-alpha-Aminocyclohexanepropionic acid hydrate
MFCD03703498
DTXSID40583367
3-Cyclohexyl-L-alanine hydrate
Cyclohexanepropanoicacid, a-amino-, hydrate (1:1), (aS)-
(2S)-2-amino-3-cyclohexylpropanoic acid,hydrate
(S)-(+)-alpha-Amino cyclohexane propionic acid hydrate
3-CYCLOHEXYL-L-ALANINE HYDRATE
L-CHA-OHHydrate
(S)-(+)-α-AMinocyclohexanepropionic acid hydrate

MDL Number

MFCD00153484

FAQ

What are the physical and chemical properties of 3-Cyclohexylalanine hydrate (1:1) (CAS: 307310-72-1)?

3-Cyclohexylalanine hydrate (1:1) is a crystalline solid with a molecular weight of approximately 230.32 g/mol. It has a water solubility of around 0.5 g/L at 25°C. Chemically, it is less reactive than its anhydrous counterpart, showing moderate reactivity with strong acids and bases. It exhibits good stability under standard storage conditions.

How is 3-Cyclohexylalanine hydrate (1:1) (CAS: 307310-72-1) typically synthesized?

3-Cyclohexylalanine hydrate (1:1) is typically synthesized by reacting cyclohexylalanine with water in the presence of a mild acid catalyst. The reaction involves the hydrolysis of the ester bond to form the hydrate. The process yields high purity product with good selectivity, and the reaction is carried out under mild conditions to ensure a high yield.

What industries use 3-Cyclohexylalanine hydrate (1:1) (CAS: 307310-72-1)?

3-Cyclohexylalanine hydrate (1:1) is used in the pharmaceutical industry for the development of custom peptides and amino acid-based drugs. It also finds applications in the polymer industry for the synthesis of biodegradable polymers. Additionally, it is used in the sensor and semiconductor industries for specific chemical sensing and electronic applications.

What precautions should be taken when handling 3-Cyclohexylalanine hydrate (1:1) (CAS: 307310-72-1)?

When handling 3-Cyclohexylalanine hydrate (1:1), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Operations should be conducted in a well-ventilated area or a fume hood. Spills should be immediately cleaned up with appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.