piperidin-3-ol hydrochloride

• ChemBase ID: 63299
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: C1(O)CNCCC1.Cl
• Canonical SMILES: OC1CCCNC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H
• InChIKey: VLECDMDGMKPUSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-3-ol hydrochloride
• IUPAC Traditional name: piperidin-3-ol hydrochloride
• Synonyms: 3-Hydroxypiperidine.HCl; 3-Hydroxypiperidine hydrochloride; 3-Piperidinol hydrochloride; 3-Hydroxypiperidine hydrochloride; piperidin-3-ol hydrochloride; 3-哌啶醇 盐酸盐; 3-羟基哌啶 盐酸盐

Database IDs

• CAS Number: 64051-79-2; 107-10-8
• EC Number: 264-644-6
• MDL Number: MFCD00012772
• PubChem SID: 24850482; 162029038
• PubChem CID: 2723962

CALCULATED PROPERTIES

• Acid pKa: 14.895534
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6185102
• LogD (pH = 7.4): -2.7142177
• Log P: -0.41741595
• Molar Refractivity: 28.1969 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.0

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: >95%; 95%; 97%; 98%; 99%
• Empirical Formula (Hill Notation): C5H11NO · HCl

DETAILS

MP Biomedicals - 05213763

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 174416

Packaging
5, 100 g in glass bottle
Application
Reactant for synthesis of: Istaroxime analogues as Na+, K+ - ATPase inhibitors1 Nitric oxide formation inhibitors2 Selective CC chemokine receptor-3 antagonists3 Oxygenated carbolines4 α-lithioallyl amides5Reactant for highly chemoselective reductive amination of carbonyl compounds6