- Roxatidine
- Roxatidine acetate
- Roxatidine acetate hydrochloride
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Cas Database |
| Name |
Roxatidine |
EINECS | N/A |
| CAS No. | 78273-80-0 | Density | 1.137 g/cm3 |
| PSA | 61.80000 | LogP | 1.87870 |
| Solubility | N/A | 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 | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Roxatidine |
Article Data | 4 |
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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