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Basic Information
CAS No.: 78273-80-0
Name: Roxatidine
Article Data: 4
Molecular Structure:
Molecular Structure of 78273-80-0 (Roxatidine)
Formula: C17H26 N2 O3
Molecular Weight: 306.405
Synonyms: Roxatidine
Density: 1.137 g/cm3
Melting Point: 59-60 °C
Boiling Point: 524.3 °C at 760 mmHg
Flash Point: 270.9 °C
PSA: 61.80000
LogP: 1.87870
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Chemistry

Product Name: Roxatidine (CAS NO.78273-80-0)


Molecular Formula: C17H26N2O3
Molecular Weight: 306.4g/mol
Mol File: 78273-80-0.mol
Boiling point: 524.3 °C at 760 mmHg
Flash Point: 270.9 °C
Density: 1.137 g/cm3
Surface Tension: 48.3 dyne/cm
Enthalpy of Vaporization: 84.02 kJ/mol
Vapour Pressure: 8.09E-12 mmHg at 25°C
XLogP3-AA: 1.5
H-Bond Donor: 2
H-Bond Acceptor: 4
Structure Descriptors of Roxatidine (CAS NO.78273-80-0):
  IUPAC Name: 2-Hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
  Canonical SMILES: C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CO
  InChI: InChI=1S/C17H26N2O3/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21) 
  InChIKey: BCCREUFCSIMJFS-UHFFFAOYSA-N
Product Categories: APIs

Specification

 Roxatidine , its CAS NO. is 78273-80-0, the synonyms are Desacetyl-tzu-0460 ; Acetamide, 2-hydroxy-N-(3-(3-(1-
piperidinylmethyl)phenoxy)propyl)- .