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5-Carboxybupranolol
[CAS# 42242-69-3]

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CAS#: 42242-69-3
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Identification
Name 5-Carboxybupranolol
Synonyms 3-[3-(Tert-Butylamino)-2-Hydroxy-Propoxy]-4-Chloro-Benzoic Acid; 1-Tert-Butylamino-3-(2-Chloro-5-Carboxyphenoxy)Propan-2-Ol; 5-Carboxybupranolol
Molecular Structure CAS#: 42242-69-3, 5-Carboxybupranolol
Molecular Formula C14H20ClNO4
Molecular Weight 301.77
CAS Registry Number 42242-69-3
SMILES C1=C(C(=O)O)C=CC(=C1OCC(O)CNC(C)(C)C)Cl
InChI 1S/C14H20ClNO4/c1-14(2,3)16-7-10(17)8-20-12-6-9(13(18)19)4-5-11(12)15/h4-6,10,16-17H,7-8H2,1-3H3,(H,18,19)
InChIKey QNYWJTMYNAJZTQ-UHFFFAOYSA-N
Properties
Density 1.238g/cm3 (Cal.)
Boiling point 484.295°C at 760 mmHg (Cal.)
Flash point 246.693°C (Cal.)
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