Ethylbenzoprim
[CAS# 118344-72-2]

Identification

• Name: Ethylbenzoprim
• Synonyms: 6-Ethyl-5-[4-(Ethyl-(Phenylmethyl)Amino)-3-Nitro-Phenyl]Pyrimidine-2,4-Diamine; Benzyl-[4-(2,4-Diamino-6-Ethyl-Pyrimidin-5-Yl)-2-Nitro-Phenyl]-Ethyl-Amine; 2,4-Pyrimidinediamine, 6-Ethyl-5-[4-[[Ethyl(Phenylmethyl)] Amino]-3-Nitrophenyl]-
• Molecular Formula: C₂₁H₂₄N₆O₂
• Molecular Weight: 392.46
• CAS Registry Number: 118344-72-2
• SMILES: C2=C(C1=C(N=C(N=C1N)N)CC)C=CC(=C2[N+]([O-])=O)N(CC3=CC=CC=C3)CC
• InChI: 1S/C21H24N6O2/c1-3-16-19(20(22)25-21(23)24-16)15-10-11-17(18(12-15)27(28)29)26(4-2)13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H4,22,23,24,25)
• InChIKey: IMIGOGRRRKKZEC-UHFFFAOYSA-N

Properties

• Density: 1.284g/cm³ (Cal.)
• Boiling point: 659.858°C at 760 mmHg (Cal.)
• Flash point: 352.87°C (Cal.)