cyclohexyl (2S)-2-aminopropanoate hydrochloride

• ChemBase ID: 293108
• Molecular Formular: C9H18ClNO2
• Molecular Mass: 207.69772
• Monoisotopic Mass: 207.1026065
• SMILES: C[C@H](N)C(=O)OC1CCCCC1.Cl
• Canonical SMILES: C[C@@H](C(=O)OC1CCCCC1)N.Cl
• InChI: InChI=1S/C9H17NO2.ClH/c1-7(10)9(11)12-8-5-3-2-4-6-8;/h7-8H,2-6,10H2,1H3;1H/t7-;/m0./s1
• InChIKey: NZAWHYMFBXOGHQ-FJXQXJEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclohexyl (2S)-2-aminopropanoate hydrochloride
• IUPAC Traditional name: cyclohexyl (2S)-2-aminopropanoate hydrochloride
• Synonyms: (S)-Cyclohexyl 2-aminopropanoate hydrochloride

Database IDs

• CAS Number: 41324-79-2
• PubChem SID: 180678639
• PubChem CID: 44225941

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.45194882
• LogD (pH = 7.4): 1.0951631
• Log P: 1.3664533
• Molar Refractivity: 46.2806 cm^3
• Polarizability: 18.871552 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%