dimethyl(piperidin-3-ylmethyl)amine dihydrochloride

• ChemBase ID: 47921
• Molecular Formular: C8H20Cl2N2
• Molecular Mass: 215.1638
• Monoisotopic Mass: 214.10035401
• SMILES: N1CC(CN(C)C)CCC1.Cl.Cl
• Canonical SMILES: CN(CC1CCCNC1)C.Cl.Cl
• InChI: InChI=1S/C8H18N2.2ClH/c1-10(2)7-8-4-3-5-9-6-8;;/h8-9H,3-7H2,1-2H3;2*1H
• InChIKey: KKIHUFVKZOTRSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(piperidin-3-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: dimethyl(piperidin-3-ylmethyl)amine dihydrochloride
• Synonyms: N,N-Dimethyl(3-piperidinyl)methanamine dihydrochloride; dimethyl(piperidin-3-ylmethyl)amine dihydrochloride; N,N-Dimethyl-3-piperidinemethylamine dihydrochloride; N,N-二甲基-3-哌啶甲基胺二盐酸盐

Database IDs

• MDL Number: MFCD13561484
• PubChem SID: 162052684
• PubChem CID: 47002811

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.551058
• LogD (pH = 7.4): -3.4077182
• Log P: 0.33608514
• Molar Refractivity: 44.8637 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 261 - 263°C; ca 270°C dec.
• Hydrophobicity(logP): 0.249

Safety Information

• Storage Warning: Hygroscopic; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%