Dimotapp L.A.
[CAS# 58660-10-9]

Identification

• Name: Dimotapp L.A.
• Synonyms: (2R)-2-Amino-1-Phenyl-Propan-1-Ol; (E)-4-(4-Bromophenoxy)-4-Oxo-But-2-Enoic Acid; N,N-Dimethyl-3-(2-Pyridyl)Propan-1-Amine; 3-[(1R)-1-Hydroxy-2-Methylamino-Ethyl]Phenol; Dihydrochloride; (2R)-2-Amino-1-Phenylpropan-1-Ol
• Molecular Formula: C₃₈H₅₁BrCl₂N₄O₇
• Molecular Weight: 826.65
• CAS Registry Number: 58660-10-9
• SMILES: N1=CC=CC=C1CCCN(C)C.[C@H](N)(C(O)C2=CC=CC=C2)C.[C@H](O)(CNC)C3=CC(=CC=C3)O.[H+].[H+].C4=C(OC(=O)\C=C\C(O)=O)C=CC(=C4)Br.[Cl-].[Cl-]
• InChI: 1S/C10H7BrO4.C10H16N2.C9H13NO2.C9H13NO.2ClH/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;1-10-6-9(12)7-3-2-4-8(11)5-7;1-7(10)9(11)8-5-3-2-4-6-8;;/h1-6H,(H,12,13);3-4,6,8H,5,7,9H2,1-2H3;2-5,9-12H,6H2,1H3;2-7,9,11H,10H2,1H3;2*1H/b6-5+;;;;;/t;;9-;7-,9?;;/m..01../s1
• InChIKey: AALUXDNCEJEVQP-ATCNMQHSSA-N

Properties

• Boiling point: 411.9°C at 760 mmHg (Cal.)
• Flash point: 202.9°C (Cal.)