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| CAS No.: | 4199-10-4 |
|---|---|
| Name: | (S)-(-)-PROPRANOLOL HYDROCHLORIDE |
| Article Data: | 19 |
| Molecular Structure: | |
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|
|
| Formula: | C16H21NO2.ClH |
| Molecular Weight: | 295.809 |
| Synonyms: | 2-Propanol,1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride, (2S)- (9CI);2-Propanol,1-(isopropylamino)-3-(1-naphthyloxy)-, hydrochloride, (-)- (8CI);2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride,(S)-;S-(-)-1-Isopropylamino-3-(1-naphthoxy)-2-propanol hydrochloride;(S)-(-)-Propranolol hydrochloride;(S)-Propranololhydrochloride;l-Propranolol hydrochloride;(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride; |
| EINECS: | 224-096-0 |
| Melting Point: | 193-195 °C(lit.) |
| Boiling Point: | 434.9 °C at 760 mmHg |
| Flash Point: | 216.8 °C |
| Solubility: | Ethanol: 10 mg/mL |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22 |
| Safety: | 36 |
| PSA: | 41.49000 |
| LogP: | 3.77040 |
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Specification
The 2-Propanol,1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride (1:1), (2S)- with CAS registry number of 4199-10-4 is also known as (S)-(2-Hydroxy-3-(naphthyloxy)propyl)isopropylammonium chloride. The IUPAC name is (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride. It belongs to product categories of Adrenoceptor. Its EINECS registry number is 224-096-0. In addition, the formula is C16H21NO2.ClH and the molecular weight is 295.80.
Physical properties about 2-Propanol,1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride (1:1), (2S)- 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)Flash Point: 216.8 °C; (12)Enthalpy of Vaporization: 72.84 kJ/mol; (13)Boiling Point: 434.9 °C at 760 mmHg; (14)Vapour Pressure: 2.48E-08 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl
2. Isomeric SMILES: CC(C)NC[C@@H](COC1=CC=CC2=CC=CC=C21)O.Cl
3. 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-;/m0./s1
4. InChIKey: ZMRUPTIKESYGQW-UQKRIMTDSA-N