2-Amino-4-[(12-Methylbenz[a]Anthracen-7-Ylmethyl)Thio]Butyric Acid
[CAS# 66964-37-2]

Identification

• Name: 2-Amino-4-[(12-Methylbenz[a]Anthracen-7-Ylmethyl)Thio]Butyric Acid
• Synonyms: 2-Amino-4-[(12-Methyl-7-Benzo[B]Phenanthrenyl)Methylthio]Butanoic Acid; 2-Amino-4-[(12-Methylbenzo[B]Phenanthren-7-Yl)Methylthio]Butyric Acid; S-(12-Methyl-7-Benz(A)Anthrylmethyl)Homocysteine
• Molecular Formula: C₂₄H₂₃NO₂S
• Molecular Weight: 389.51
• CAS Registry Number: 66964-37-2
• SMILES: C1=CC4=C(C2=C(C3=C(C(=C12)CSCCC(C(O)=O)N)C=CC=C3)C)C=CC=C4
• InChI: 1S/C24H23NO2S/c1-15-17-7-4-5-9-19(17)21(14-28-13-12-22(25)24(26)27)20-11-10-16-6-2-3-8-18(16)23(15)20/h2-11,22H,12-14,25H2,1H3,(H,26,27)
• InChIKey: PZYDJZNTAVBABA-UHFFFAOYSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 659.152°C at 760 mmHg (Cal.)
• Flash point: 352.443°C (Cal.)