piperidine-1-carboximidamide hydrobromide

• ChemBase ID: 81420
• Molecular Formular: C6H14BrN3
• Molecular Mass: 208.09946
• Monoisotopic Mass: 207.03710946
• SMILES: N1(C(=N)N)CCCCC1.Br
• Canonical SMILES: NC(=N)N1CCCCC1.Br
• InChI: InChI=1S/C6H13N3.BrH/c7-6(8)9-4-2-1-3-5-9;/h1-5H2,(H3,7,8);1H
• InChIKey: UOTPMDPAIHTZNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-1-carboximidamide hydrobromide
• IUPAC Traditional name: piperidine-1-carboximidamide hydrobromide
• Synonyms: piperidine-1-carboximidamide hydrobromide; Piperidine-1-carboximidamide hydrobromide; Piperidine-1-carboxamidine hydrobromide

Database IDs

• CAS Number: 332367-56-3
• MDL Number: MFCD00829953
• PubChem SID: 162068539
• PubChem CID: 2777304

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2623415
• LogD (pH = 7.4): -2.2619586
• Log P: 0.15311258
• Molar Refractivity: 48.0701 cm^3
• Polarizability: 14.052864 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129-130°C
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Warning: Toxic/Harmful/Irritant

Product Information

• Purity: 95%