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

• ChemBase ID: 157323
• 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+;/m0./s1
• InChIKey: ZFSXKSSWYSZPGQ-UYXJWNHNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S)-2-aminocyclopentan-1-ol hydrochloride
• IUPAC Traditional name: (1R,2S)-2-aminocyclopentan-1-ol hydrochloride
• Synonyms: (1R,2S)-cis-2-aminocyclopentanol hydrochloride; cis-2-Aminocyclopentanol hydrochloride; (1R,2S)-cis-2-Aminocyclopentanol hydrochloride; (1R,2S)-顺式-2-氨基环戊醇 盐酸盐

Database IDs

• CAS Number: 137254-03-6; 31889-37-9
• MDL Number: MFCD07366587; MFCD07370091
• PubChem SID: 24845966; 162251460
• PubChem CID: 16211105

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

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 38-41
• Safety Statements: 29-39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (TLC); 95+%
• Empirical Formula (Hill Notation): C5H11NO · HCl