-
Name
Roxatidine
- EINECS
- CAS No. 78273-80-0
- Article Data4
- CAS DataBase
- Density 1.137 g/cm3
- Solubility
- Melting Point 59-60 °C
- Formula C17H26 N2 O3
- Boiling Point 524.3 °C at 760 mmHg
- Molecular Weight 306.405
- Flash Point 270.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Roxatidine
- PSA 61.80000
- LogP 1.87870
Roxatidine Chemical Properties
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
Roxatidine 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)- .
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