4-{[(2-Chloroethyl)(nitroso)carbamoyl](methyl)amino}cyclohexanecarboxylic acid
[CAS 87640-31-1]

Identification

• Name: 4-{[(2-Chloroethyl)(nitroso)carbamoyl](methyl)amino}cyclohexanecarboxylic acid
• Synonyms: 4-((((2-chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid; cis-4-((((2-Chloroethyl)nitrosoamino)carbonyl)methylamino)cyclohexanecarboxylic acid; cis-4-[[[(2-Chloroethyl)nitrosoamino]carbonyl]methyl-amino]cyclohexanecarboxylic Acid(N-Me-cis-CCCNU)
• Molecular Formula: C₁₁H₁₈ClN₃O₄
• Molecular Weight: 291.73
• CAS Registry Number: 87640-31-1
• SMILES: CN(C1CCC(CC1)C(=O)O)C(=O)N(CCCl)N=O
• InChI: 1S/C11H18ClN3O4/c1-14(11(18)15(13-19)7-6-12)9-4-2-8(3-5-9)10(16)17/h8-9H,2-7H2,1H3,(H,16,17)
• InChIKey: DCZXFFVFQJNEQG-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 430.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 214.0±31.5°C (Cal.)