Mecaphane
[CAS# 1952-97-2]

Identification

• Name: Mecaphane
• Synonyms: (2S)-2-Amino-3-[4-[Bis(2-Chloroethyl)Amino]-2-Methoxy-Phenyl]Propanoic Acid; (2S)-2-Amino-3-[4-[Bis(2-Chloroethyl)Amino]-2-Methoxy-Phenyl]Propionic Acid; Mecaphane
• Molecular Formula: C₁₄H₂₀Cl₂N₂O₃
• Molecular Weight: 335.23
• CAS Registry Number: 1952-97-2
• SMILES: [C@H](C(=O)O)(N)CC1=CC=C(C=C1OC)N(CCCl)CCCl
• InChI: 1S/C14H20Cl2N2O3/c1-21-13-9-11(18(6-4-15)7-5-16)3-2-10(13)8-12(17)14(19)20/h2-3,9,12H,4-8,17H2,1H3,(H,19,20)/t12-/m0/s1
• InChIKey: VKYIPXSTNJXGRF-LBPRGKRZSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 487.517°C at 760 mmHg (Cal.)
• Flash point: 248.642°C (Cal.)