2-(1H-imidazol-4-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 68065
• Molecular Formular: C5H11Cl2N3
• Molecular Mass: 184.06694
• Monoisotopic Mass: 183.03300273
• SMILES: c1nc(c[nH]1)CCN.Cl.Cl
• Canonical SMILES: NCCc1nc[nH]c1.Cl.Cl
• InChI: InChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
• InChIKey: PPZMYIBUHIPZOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-imidazol-4-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: histamine dihydrochloride
• Synonyms: 1H-Imidazole-4-ethanamine dihydrochloride; Histamine 2HCl; Histamini dihydrochloridum; 2-(1H-imidazol-4-yl)ethan-1-amine dihydrochloride; 2-(1H-imidazol-4-yl)ethanamine dihydrochloride; Histamine dihydrochloride; 2-[4-Imidazolyl]-ethylamine dihydrochloride; HISTAMINE DIHYDROCHLORIDE; 2-(4-Imidazolyl)ethylamine dihydrochloride; Histamine dihydrochloride; 4-(2-Aminoethyl)-1H-imidazole dihydrochloride; 组胺二盐酸盐; 2-(4-咪唑)乙胺 二盐酸盐; 组胺 二盐酸盐

Database IDs

• CAS Number: 56-92-8
• EC Number: 200-298-4
• MDL Number: MFCD00012703
• Beilstein Number: 3624116
• PubChem SID: 162033797; 24277777; 24877934
• PubChem CID: 5818

CALCULATED PROPERTIES

• Acid pKa: 14.456615
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.3165584
• LogD (pH = 7.4): -2.8456826
• Log P: -0.7009711
• Molar Refractivity: 31.6634 cm^3
• Polarizability: 12.272421 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: white to off-white powder
• Melting Point: 247 - 249°C; 249-252 °C(lit.); 249-252°C
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• RTECS: MS1575000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 36/37/38-42/43; R:22
• Safety Statements: 22-26-36/37/39-45; S:36/37/39
• TSCA Listed: false
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H317-H319-H334-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Target: Histamine Receptor
• Gene Information: human ... HRH1(3269), HRH2(3274)

Product Information

• Purity: ≥98.0%; ≥99% (TLC); 95%; 95+%; 97%; 98%
• Grade: Ph Eur; SAJ special grade
• Salt Data: 2 HCl; HCl
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Empirical Formula (Hill Notation): C5H9N3 · 2HCl

DETAILS

MP Biomedicals - 02100340

Crystalline Purity: 98%

Sigma Aldrich - H7250

Frequently Asked Questions
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包装
10 mg in autosmp vl
5, 10, 25 g in glass bottle
Biochem/physiol Actions
内源性 H1 和 H2 组胺受体激动剂；H1 的活化可稳定 Ca2+；H2 的活化可刺激神经元腺苷酸环化酶的活性；活化一氧化氮合成酶；有效的血管舒张剂。

Sigma Aldrich - 112607

Biochem/physiol Actions
Endogenous H1 and H2 histamine receptor agonist; H1 activation mobilizes Ca2+; H2 activation stimulates adenylate cyclase activity in neurons; activates nitric oxide synthetase; potent vasodilator.

Sigma Aldrich - 53302

Biochem/physiol Actions
Endogenous H1 and H2 histamine receptor agonist; H1 activation mobilizes Ca2+; H2 activation stimulates adenylate cyclase activity in neurons; activates nitric oxide synthetase; potent vasodilator.

Sigma Aldrich - 13-1130

Biochem/physiol Actions
Endogenous H1 and H2 histamine receptor agonist; H1 activation mobilizes Ca2+; H2 activation stimulates adenylate cyclase activity in neurons; activates nitric oxide synthetase; potent vasodilator.