-
Name
()-1-(isopropylamino)-3-(naphthyloxy)propan-2-ol
- EINECS 235-867-6
- CAS No. 13013-17-7
- Article Data52
- CAS DataBase
- Density 1.093g/cm3
- Solubility
- Melting Point
- Formula
- Boiling Point 434.9°C at 760 mmHg
- Molecular Weight 259.348
- Flash Point 216.8°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (±)-1-(isopropylamino)-3-(naphthyloxy)propan-2-ol;dl-Propanolol;rac-(2R*)-1-Isopropylamino-3-(1-naphthalenyloxy)-2-propanol;rac-Propranolol;(1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol;Einecs 235-867-6
- PSA
- LogP
D,L-Propranolol Chemical Properties
Molecule structure of D,L-Propranolol (CAS NO.13013-17-7):
IUPAC Name: 1-Naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular Weight: 259.34344 g/mol
Molecular Formula: C16H21NO2
Density: 1.093 g/cm3
Boiling Point: 434.9 °C at 760 mmHg
Flash Point: 216.8 °C
Index of Refraction: 1.58
Molar Refractivity: 78.98 cm3
Molar Volume: 237.1 cm3
Polarizability: 31.31×10-24 cm3
Surface Tension: 42.6 dyne/cm
Enthalpy of Vaporization: 72.84 kJ/mol
Vapour Pressure: 2.48E-08 mmHg at 25 °C
XLogP3: 3
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 259.157229
MonoIsotopic Mass: 259.157229
Topological Polar Surface Area: 41.5
Heavy Atom Count: 19
Complexity: 257
Canonical SMILES: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
InChI: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
InChIKey: AQHHHDLHHXJYJD-UHFFFAOYSA-N
EINECS of D,L-Propranolol (CAS NO.13013-17-7): 235-867-6
D,L-Propranolol Toxicity Data With Reference
| 1. | dnd-rat:lvr 10 mmol/L | JJIND8 JNCI, Journal of the National Cancer Institute. 70 (1983),747. | ||
| 2. | dns-rat-ipr 75 mg/kg | TOPADD Toxicologic Pathology. 13 (1985),18. | ||
| 3. | oms-rat-ipr 75 mg/kg | TOPADD Toxicologic Pathology. 13 (1985),18. | ||
| 4. | ivn-rat LD50:2750 µg/kg | PJPPAA Polish Journal of Pharmacology and Pharmacy. 32 (1980),823. |
D,L-Propranolol Safety Profile
Poison by intravenous route. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
D,L-Propranolol Specification
D,L-Propranolol (CAS NO.13013-17-7) is also called (+-)-Propranolol ; Racemic propranolol ; (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol ; 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- ; 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- (9CI) ; 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)- .
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