4-{[({[(2S)-4-(3,4-Dichlorobenzyl)-2-Morpholinyl]Methyl}Carbamoyl)Amino]Methyl}Benzoic Acid
[CAS# 408304-11-0]

Identification

• Name: 4-{[({[(2S)-4-(3,4-Dichlorobenzyl)-2-Morpholinyl]Methyl}Carbamoyl)Amino]Methyl}Benzoic Acid
• Synonyms: 4-{[({[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl}carbamoyl)amino]methyl}benzoic acid; 4-{3-[4-(3,4-Dichloro-benzyl)-morpholin-2-ylmethyl]-; ureidomethyl}-benzoic acid; 4-{3-[4-(3,4-Dichloro-benzyl)-morpholin-2-ylmethyl]-ureidomethyl}-benzoic acid
• Molecular Formula: C₂₁H₂₃Cl₂N₃O₄
• Molecular Weight: 452.33
• CAS Registry Number: 408304-11-0
• SMILES: C1CO[C@H](CN1CC2=CC(=C(C=C2)Cl)Cl)CNC(=O)NCC3=CC=C(C=C3)C(=O)O
• InChI: 1S/C21H23Cl2N3O4/c22-18-6-3-15(9-19(18)23)12-26-7-8-30-17(13-26)11-25-21(29)24-10-14-1-4-16(5-2-14)20(27)28/h1-6,9,17H,7-8,10-13H2,(H,27,28)(H2,24,25,29)/t17-/m0/s1
• InChIKey: KQMGETSFTKVPDP-KRWDZBQOSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 679.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 365.0±31.5°C (Cal.)
• Refractive index: 1.609 (Cal.)