piperidin-2-imine hydrochloride

• ChemBase ID: 82199
• Molecular Formular: C5H11ClN2
• Molecular Mass: 134.60724
• Monoisotopic Mass: 134.06107604
• SMILES: N1C(=N)CCCC1.Cl
• Canonical SMILES: N=C1CCCCN1.Cl
• InChI: InChI=1S/C5H10N2.ClH/c6-5-3-1-2-4-7-5;/h1-4H2,(H2,6,7);1H
• InChIKey: ZHDTXTDHBRADLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-2-imine hydrochloride
• IUPAC Traditional name: piperidin-2-imine hydrochloride
• Synonyms: tetrahydropyridin-2(1H)-imine hydrochloride; 2-Amino-3,4,5,6-tetrahydropyridine hydrochloride; 2-Iminopiperidine hydrochloride; 2-氨基-3,4,5,6-四氢吡啶 盐酸盐; 2-亚氨基哌啶 盐酸盐

Database IDs

• CAS Number: 16011-96-4
• EC Number: 240-146-4
• MDL Number: MFCD00006043
• PubChem SID: 24847999; 162069318
• PubChem CID: 85236

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.426731
• LogD (pH = 7.4): -2.4262009
• Log P: -0.01127912
• Molar Refractivity: 39.3309 cm^3
• Polarizability: 11.0722275 Å^3
• Polar Surface Area: 35.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159-161 °C(lit.)

Safety Information

• RTECS: TN0404000
• German water hazard class: 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H10N2 · HCl

DETAILS

Sigma Aldrich - 131172

Packaging
5 g in glass bottle
Application
Reactant for synthesis of: heteroaromatic compound from alkenes using ketoiodination-cyclization protocols1 HIV-1 integrase inhibitor scaffolds2 Fluorinated bicyclic heterocycles3Reactant for: Diels-Alder reactions of heterocyclic azadienes4 Condensation reactions5