N-[3-[Bis(2-Chloroethyl)Amino]-4-Methylbenzoyl]-L-Tyrosine Sodium Salt
[CAS# 52616-30-5]

Identification

• Name: N-[3-[Bis(2-Chloroethyl)Amino]-4-Methylbenzoyl]-L-Tyrosine Sodium Salt
• Synonyms: Sodium (2S)-2-[[3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Benzoyl]Amino]-3-(4-Hydroxyphenyl)Propanoate; Sodium (2S)-2-[[[3-[Bis(2-Chloroethyl)Amino]-4-Methylphenyl]-Oxomethyl]Amino]-3-(4-Hydroxyphenyl)Propanoate; Sodium (2S)-2-[[3-[Bis(2-Chloroethyl)Amino]-4-Methyl-Benzoyl]Amino]-3-(4-Hydroxyphenyl)Propionate
• Molecular Formula: C₂₁H₂₃Cl₂N₂NaO₄
• Molecular Weight: 461.32
• CAS Registry Number: 52616-30-5
• SMILES: [C@H](NC(=O)C1=CC(=C(C=C1)C)N(CCCl)CCCl)(CC2=CC=C(O)C=C2)C([O-])=O.[Na+]
• InChI: 1S/C21H24Cl2N2O4.Na/c1-14-2-5-16(13-19(14)25(10-8-22)11-9-23)20(27)24-18(21(28)29)12-15-3-6-17(26)7-4-15;/h2-7,13,18,26H,8-12H2,1H3,(H,24,27)(H,28,29);/q;+1/p-1/t18-;/m0./s1
• InChIKey: KSODCNQBMBVLAJ-FERBBOLQSA-M

Properties

• Boiling point: 652.1°C at 760 mmHg (Cal.)
• Flash point: 348.2°C (Cal.)