Cas no 307310-72-1 (3-Cyclohexyl-L-alaninehydrate)

3-Cyclohexyl-L-alanine hydrate is a non-natural amino acid derivative characterized by the presence of a cyclohexyl group attached to the α-carbon of L-alanine. This modification enhances its hydrophobic properties, making it valuable in peptide synthesis and medicinal chemistry for improving binding affinity and metabolic stability. The hydrate form ensures better handling and solubility in aqueous solutions. Its chiral purity (L-configuration) is critical for maintaining stereoselectivity in biologically active compounds. Commonly used in pharmaceutical research, it serves as a building block for designing enzyme inhibitors, receptor ligands, and peptidomimetics. The cyclohexyl moiety contributes to conformational rigidity, aiding in the study of structure-activity relationships.

3-Cyclohexyl-L-alaninehydrate structure

Product Name:3-Cyclohexyl-L-alaninehydrate

CAS No:307310-72-1

MF:C₉H₁₉NO₃

MW:189.252063035965

MDL:MFCD03703498

CID:300337

PubChem ID:24867419

Update Time:2025-06-09

3-Cyclohexyl-L-alaninehydrate Chemical and Physical Properties

Names and Identifiers

- Cyclohexanepropanoicacid, a-amino-, hydrate (1:1), (aS)-
- (S)-2-Amino-3-cyclohexylpropanoic acid hydrate
- (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
- (2S)-2-amino-3-cyclohexylpropanoic acid;hydrate
- F14510
- (S)-(+)-alpha-Aminocyclohexanepropionic acid hydrate
- DTXSID40583367
- Cyclohexanepropanoic acid, alpha-amino-, hydrate (1:1), (alphaS)-
- 3-Cyclohexyl-L-alanine--water (1/1)
- (S)-(+)-alpha-Aminocyclohexanepropionic acid hydrate, technical grade
- (S)-2-Amino-3-cyclohexylpropanoicacidhydrate
- AKOS024257966
- HDJQIWAIDCEDEF-QRPNPIFTSA-N
- DS-13052
- SCHEMBL2651079
- MFCD03703498
- CS-0042555
- 307310-72-1
- ?-CYCLOHEXYL-ALANINE HYDRATE
- A-Aminocyclohexanepropionic acid hydrate
- (S)-(+)-
- 3-Cyclohexyl-L-alaninehydrate
- MDL： MFCD03703498
- 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
- InChI Key： HDJQIWAIDCEDEF-QRPNPIFTSA-N
- SMILES： OC([C@H](CC1CCCCC1)N)=O.O

Computed Properties

Exact Mass: 189.13657
Monoisotopic Mass: 189.13649347g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 13
Rotatable Bond Count: 3
Complexity: 153
Covalently-Bonded Unit Count: 2
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
Tautomer Count: nothing
XLogP3: nothing
Topological Polar Surface Area: 64.3?2

Experimental Properties

Color/Form: solid
Melting Point: 234-237?°C (lit.)
Boiling Point: 387°C at 760 mmHg
Flash Point: 187.9°C
PSA: 94.82
LogP: 2.00470
Optical Activity: [α]21/D +12.0°, c =?1 in 1 M NaOH
Solubility: Not determined

3-Cyclohexyl-L-alaninehydrate Security Information

Symbol:
Signal Word：Warning
Hazard Statement： H302-H319
Warning Statement： P305+P351+P338
Hazardous Material transportation number：NONH for all modes of transport
WGK Germany：3
Hazard Category Code： 22-36
Safety Instruction： 26
FLUKA BRAND F CODES：10
Hazardous Material Identification：

3-Cyclohexyl-L-alaninehydrate Pricemore >>

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TRC	C992265-100mg	3-Cyclohexyl-L-alaninehydrate	307310-72-1		100mg	$ 50.00	2022-06-06
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