Novafed A syrup
[CAS# 79861-91-9]

Identification

• Name: Novafed A syrup
• Synonyms: (Z)-4-(4-Chlorophenoxy)-4-Oxo-But-2-Enoic Acid; N,N-Dimethyl-3-(2-Pyridyl)Propan-1-Amine; (1R,2S)-2-Methylamino-1-Phenyl-Propan-1-Ol; Hydrochloride; (Z)-4-(4-Chlorophenoxy)-4-Oxobut-2-Enoic Acid; N,N-Dimethyl-3-(2-Pyridyl)Propan-1-Amine
• Molecular Formula: C₃₀H₃₉Cl₂N₃O₅
• Molecular Weight: 592.56
• CAS Registry Number: 79861-91-9
• SMILES: [C@@H](NC)([C@H](O)C1=CC=CC=C1)C.[H+].C2=C(OC(=O)\C=C/C(O)=O)C=CC(=C2)Cl.[Cl-].C(CN(C)C)CC3=CC=CC=N3
• InChI: 1S/C10H7ClO4.C10H16N2.C10H15NO.ClH/c11-7-1-3-8(4-2-7)15-10(14)6-5-9(12)13;1-12(2)9-5-7-10-6-3-4-8-11-10;1-8(11-2)10(12)9-6-4-3-5-7-9;/h1-6H,(H,12,13);3-4,6,8H,5,7,9H2,1-2H3;3-8,10-12H,1-2H3;1H/b6-5-;;;/t;;8-,10-;/m..0./s1
• InChIKey: YIYDHFWOMPNNCW-ICTHXWQWSA-N

Properties

• Boiling point: 395.3°C at 760 mmHg (Cal.)
• Flash point: 192.8°C (Cal.)