L-(-)-Histidinol dihydrochloride

• CAS: 1596-64-1
• Catalog Number: ACM1596641
• Category: Other Products
• Molecular Weight: 214.09
• Molecular Formula: C6H13Cl2N3O
• Synonyms: Beta-aminoimidazole-4-propanoldihydrochloride
• IUPAC Name: (2S)-2-Amino-3-(1H-imidazol-5-yl)propan-1-ol;dihydrochloride
• Canonical SMILES: C1=C(NC=N1)CC(CO)N.Cl.Cl
• InChI: InChI=1S/C6H11N3O.2ClH/c7-5(3-10)1-6-2-8-4-9-6;;/h2,4-5,10H,1,3,7H2,(H,8,9);2*1H/t5-;;/m0../s1
• InChI Key: FRCAFNBBXRWXQA-XRIGFGBMSA-N
• Boiling Point: 455.5 °C
• Melting Point: 198-201 °C(lit.)
• Flash Point: 229.3 °C
• Appearance: Crystalline powder
• Storage: Inert atmosphere, 2-8 °C
• Complexity: 99
• EC Number: 216-482-2
• Exact Mass: 213.0435674
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 5
• Isomeric SMILES: C1=C(NC=N1)C[C@@H](CO)N.Cl.Cl
• Monoisotopic Mass: 213.0435674
• Safety Description: S26-S37/39
• Topological Polar Surface Area: 74.9 Ų
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 223910-41-6

• 1596-64-1

Reference: [1]Journal of Medicinal Chemistry,1999,vol. 42,p. 1193 - 1202

Upstream Synthesis Route 2

• 4467-54-3

• 1596-64-1

Reference: [1]Journal of Organic Chemistry,2000,vol. 65,p. 4009 - 4027
[2]Journal of Medicinal Chemistry,1999,vol. 42,p. 1193 - 1202

Downstream Synthesis Route 1

• 760-93-0
• 1596-64-1

• 289506-25-8

Reference: [1]Journal of Organic Chemistry,2000,vol. 65,p. 4009 - 4027

* For details of the synthesis route, please refer to the original source to ensure accuracy.