1-(1H-imidazol-4-yl)propan-2-amine dihydrobromide

• ChemBase ID: 105379
• Molecular Formular: C6H13Br2N3
• Molecular Mass: 286.99552
• Monoisotopic Mass: 284.94762143
• SMILES: Br.Br.CC(N)Cc1c[nH]cn1
• Canonical SMILES: CC(Cc1nc[nH]c1)N.Br.Br
• InChI: InChI=1S/C6H11N3.2BrH/c1-5(7)2-6-3-8-4-9-6;;/h3-5H,2,7H2,1H3,(H,8,9);2*1H
• InChIKey: RWHNAAABSGVRDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1H-imidazol-4-yl)propan-2-amine dihydrobromide
• IUPAC Traditional name: α-methylhistamine dihydrobromide
• Synonyms: R(-)-α-METHYLHISTAMINE DIHYDROBROMIDE

Database IDs

• CAS Number: 75614-87-8
• PubChem SID: 162092383
• PubChem CID: 206868

CALCULATED PROPERTIES

• Acid pKa: 14.423421
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.923475
• LogD (pH = 7.4): -2.6216805
• Log P: -0.2843961
• Molar Refractivity: 36.0822 cm^3
• Polarizability: 14.113712 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C, Desiccate
• European Hazard Symbols: Harmful (Xn)
• Packing Group: None
• Risk Statements: R:22
• Safety Statements: S:36/37/39
• EU Classification: T2
• EU Hazard Identification Number: 6.1B

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02159969

Dihydrobromide
Purity: 99%
Selective and potent agonist of histamine H₃ .

REFERENCES

• Arrang, J.M., et al., Nature , 327 : 117 (1987).
• Hew, R.W.S., et al., Brit. J. Pharmacol. , 101 : 621 (1990).