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

• ChemBase ID: 144983
• 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-FHAQVOQBSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 68327-04-8; 31775-67-4
• MDL Number: MFCD02683551; MFCD07370092
• PubChem SID: 24874515; 162239194; 24845971
• PubChem CID: 16211106

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: 191-196 °C(lit.)
• Hydrophobicity(logP): -0.452

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2; 3
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (TLC); 95%; 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C5H11NO · HCl

DETAILS

Sigma Aldrich - 525863

Packaging
5 g in glass bottle