1,3,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaen-4-amine dihydrochloride

• ChemBase ID: 74337
• Molecular Formular: C10H10Cl2N4
• Molecular Mass: 257.1192
• Monoisotopic Mass: 256.0282517
• SMILES: Cl.n12c3c(ccc(n3)N)nc1cccc2.Cl
• Canonical SMILES: Nc1ccc2c(n1)n1ccccc1n2.Cl.Cl
• InChI: InChI=1S/C10H8N4.2ClH/c11-8-5-4-7-10(13-8)14-6-2-1-3-9(14)12-7;;/h1-6H,(H2,11,13);2*1H
• InChIKey: LQFGYIJQTGVJPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaen-4-amine dihydrochloride
• IUPAC Traditional name: 1,3,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,8,10,12-hexaen-4-amine dihydrochloride
• Synonyms: GLU-P-2 dihydrochloride; Dipyrido[1,2-a:3',2'-d]imidazol-2-amine dihydrochloride; Imidazo[1,2-a:5,4-b']dipyridin-2-amine dihydrochloride; 2-Aminodipyrido[1,2-a:3',2'-d]imidazole dihydrochloride

Database IDs

• MDL Number: MFCD00278824
• PubChem SID: 162039256
• PubChem CID: 71299267

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.79307157
• LogD (pH = 7.4): 1.0743343
• Log P: 1.0795988
• Molar Refractivity: 54.7017 cm^3
• Polarizability: 20.365927 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Carcinogenic/Mutagenic/Harmful/Irritant/Light Sensitive/Hygroscopic/Store at -20°C/Store under Argon

DETAILS

Apollo Scientific Ltd - OR0880T

Broiled fish, fried beef, commercial beef extracts and protein pyrolysates contain Glu-2 which is highly mutagenic in the Ames assay.