piperidin-3-amine dihydrochloride

• ChemBase ID: 68560
• Molecular Formular: C5H14Cl2N2
• Molecular Mass: 173.08406
• Monoisotopic Mass: 172.05340382
• SMILES: N1CC(CCC1)N.Cl.Cl
• Canonical SMILES: NC1CCCNC1.Cl.Cl
• InChI: InChI=1S/C5H12N2.2ClH/c6-5-2-1-3-7-4-5;;/h5,7H,1-4,6H2;2*1H
• InChIKey: GGPNYXIOFZLNKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-3-amine dihydrochloride
• IUPAC Traditional name: piperidin-3-amine dihydrochloride
• Synonyms: 3-Aminopiperidine dihydrochloride; Piperidin-3-amine dihydrochloride; 3-Aminopiperidine dihydrochloride 97%; Piperidin-3-amine dihydrochloride; 3-Piperidinamine dihydrochloride; 3-Aminopiperidine dihydrochloride; (±)-3-Piperidinamine dihydrochloride; (±)-3-Aminopiperidine dihydrochloride; 3-氨基哌啶 二盐酸盐

Database IDs

• CAS Number: 138060-07-8
• MDL Number: MFCD00012773
• PubChem SID: 162034291; 24857652
• PubChem CID: 16211870

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.5423007
• LogD (pH = 7.4): -3.3890278
• Log P: -0.5242977
• Molar Refractivity: 29.8544 cm^3
• Polarizability: 12.272833 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 230 °C (dec.)(lit.); 230(dec.)°C; 230°C

Safety Information

• Storage Warning: Hygroscopic; IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39; 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 95+%; 97%
• Empirical Formula (Hill Notation): C5H12N2 · 2HCl

DETAILS

Sigma Aldrich - 293369

Packaging
50, 250 mg in glass bottle
Application
Reactant for N-arylation of heterocyclic diamines1Reactant for synthesis of substituted quinolones with reduced phototoxic risk2