Methylbenzoprim
[CAS# 118344-71-1]

Identification

• Name: Methylbenzoprim
• Synonyms: 6-Ethyl-5-[4-(Methyl-(Phenylmethyl)Amino)-3-Nitro-Phenyl]Pyrimidine-2,4-Diamine; Benzyl-[4-(2,4-Diamino-6-Ethyl-Pyrimidin-5-Yl)-2-Nitro-Phenyl]-Methyl-Amine; Neuro_000220
• Molecular Formula: C₂₀H₂₂N₆O₂
• Molecular Weight: 378.43
• CAS Registry Number: 118344-71-1
• SMILES: C1=CC(=C(C=C1C2=C(CC)N=C(N)N=C2N)[N+]([O-])=O)N(C)CC3=CC=CC=C3
• InChI: 1S/C20H22N6O2/c1-3-15-18(19(21)24-20(22)23-15)14-9-10-16(17(11-14)26(27)28)25(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H4,21,22,23,24)
• InChIKey: NUFNKYNBZYIQDG-UHFFFAOYSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 654.913°C at 760 mmHg (Cal.)
• Flash point: 349.879°C (Cal.)