(1R,2R)-2-aminocyclopentan-1-ol hydrochloride

• ChemBase ID: 140376
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: C1C[C@H]([C@@H](C1)O)N.Cl
• Canonical SMILES: O[C@@H]1CCC[C@H]1N.Cl
• InChI: InChI=1S/C5H11NO.ClH/c6-4-2-1-3-5(4)7;/h4-5,7H,1-3,6H2;1H/t4-,5-;/m1./s1
• InChIKey: ZFSXKSSWYSZPGQ-TYSVMGFPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-aminocyclopentan-1-ol hydrochloride
• IUPAC Traditional name: (1R,2R)-2-aminocyclopentan-1-ol hydrochloride
• Synonyms: trans-2-aminocyclopentan-1-ol hydrochloride; (1R,2R)-trans-2-Aminocyclopentanol hydrochloride; (1R,2R)-rel-2-Aminocyclopentanol hydrochloride; (1R,2R)-反式-2-氨基环戊醇 盐酸盐

Database IDs

• CAS Number: 31775-67-4; 68327-11-7
• MDL Number: MFCD02683551; MFCD09834692
• Beilstein Number: 4143621
• PubChem SID: 162234620
• PubChem CID: 12886906

CALCULATED PROPERTIES

• Acid pKa: 14.611689
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3597982
• LogD (pH = 7.4): -2.722022
• Log P: -0.3456606
• Molar Refractivity: 27.6935 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 188 - 190°C
• Hydrophobicity(logP): -0.452

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥96.5% (TLC); 95%; 95+%; 97%
• Optical Purity: ee: ≥97.0% (GC)
• Empirical Formula (Hill Notation): C5H11NO · HCl

DETAILS

Sigma Aldrich - 671878

Packaging
1, 5 g in glass bottle