Name: (R)-(+)-PROPRANOLOL
SKU: 13071-11-9

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Basic Information

Molecular Structure:
CAS No.:	13071-11-9
Name:	(R)-(+)-PROPRANOLOL
Article Data:	7

Formula:	C₁₆H₂₁NO₂.ClH
Molecular Weight:	295.809
Synonyms:	2-Propanol,1-(isopropylamino)-3-(1-naphthyloxy)-, hydrochloride, (+)- (8CI);2-Propanol,1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride, (2R)- (9CI);2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride,(R)-;(+)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol hydrochloride;(+)-Anapriline;(+)-Propranolol hydrochloride;(R)-(+)-Propranolol hydrochloride;(R)-Propranolol hydrochloride;AY 20694;Dexpropranolol hydrochloride;ICI47319;R-(+)-1-Isopropylamino-3-(1-naphthoxy)-2-propanol hydrochloride;d-Anapriline;d-Propranolol hydrochloride;
EINECS:	235-961-7
Melting Point:	196-198 °C(lit.)
Boiling Point:	434.9 °C at 760 mmHg
Flash Point:	216.8 °C
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	22-24/25
PSA:	41.49000
LogP:	3.77040

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Specification

The CAS register number of 2-Propanol,1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride (1:1), (2R)- is 13071-11-9. It also can be called as (R)-(+)-Propranolol hydrochloride and the IUPAC name about this chemical is (2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride. The molecular formula about this chemical is C₁₆H₂₁NO₂.ClH and the molecular weight is 295.81.

Physical properties about 2-Propanol,1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride (1:1), (2R)- are: (1)ACD/LogP: 3.10; (2)ACD/LogD (pH 5.5): 0.09; (3)ACD/LogD (pH 7.4): 1.27; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 1.13; (7)ACD/KOC (pH 7.4): 17.36; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 21.7 Å²; (12)Flash Point: 216.8 °C; (13)Enthalpy of Vaporization: 72.84 kJ/mol; (14)Boiling Point: 434.9 °C at 760 mmHg; (15)Vapour Pressure: 2.48E-08 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it may cause damage to health. If you want to use it, do not breathe dust and avoid contact with skin and eyes. This chemical may have harm to the environment, especially when discharged into water and the storage temperature of this chemical is 2-8 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O[C@H](CNC(C)C)COc2cccc1ccccc12
(2)InChI: InChI=1/C16H21NO2.ClH/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;1H/t14-;/m1./s1
(3)InChIKey: ZMRUPTIKESYGQW-PFEQFJNWBV
(4)Std. InChI: InChI=1S/C16H21NO2.ClH/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;1H/t14-;/m1./s1
(5)Std. InChIKey: ZMRUPTIKESYGQW-PFEQFJNWSA-N