4beta-[3-(2-Chloroethyl)-3-Nitrosoureido]Cyclohexane-1alpha-Acetic Acid
[CAS# 52320-89-5]

Identification

• Name: 4beta-[3-(2-Chloroethyl)-3-Nitrosoureido]Cyclohexane-1alpha-Acetic Acid
• Synonyms: 2-[4-[(2-Chloroethyl-Nitroso-Carbamoyl)Amino]Cyclohexyl]Acetic Acid; 2-[4-[[(2-Chloroethyl-Nitrosoamino)-Oxomethyl]Amino]Cyclohexyl]Acetic Acid; 2-[4-[(2-Chloroethyl-Nitroso-Carbamoyl)Amino]Cyclohexyl]Ethanoic Acid
• Molecular Formula: C₁₁H₁₈ClN₃O₄
• Molecular Weight: 291.73
• CAS Registry Number: 52320-89-5 (56208-24-3)
• SMILES: C(C(O)=O)C1CCC(CC1)NC(=O)N(CCCl)N=O
• InChI: 1S/C11H18ClN3O4/c12-5-6-15(14-19)11(18)13-9-3-1-8(2-4-9)7-10(16)17/h8-9H,1-7H2,(H,13,18)(H,16,17)
• InChIKey: RGSCZHWAYJQOJX-UHFFFAOYSA-N

Properties

• Density: 1.459g/cm³ (Cal.)