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| CAS No.: | 7460-12-0 |
|---|---|
| Name: | Pseudoephedrine sulfate |
| Molecular Structure: | |
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| Formula: | 2(C10H15NO).H2SO4 |
| Molecular Weight: | 428.55 |
| Synonyms: | Benzenemethanol,R-[(1S)-1-(methylamino)- ethyl]-,(RS)-,sulfate (2:1) (salt); |
| EINECS: | 231-243-2 |
| Density: | g/cm3 |
| Melting Point: | 175-179°C (lit.) |
| Boiling Point: | 255 °C at 760 mmHg |
| Flash Point: | 85.6 °C |
| Appearance: | crystals, soluble in water. |
| PSA: | 147.50000 |
| LogP: | 3.86560 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The Pseudoephedrine sulfate, with the CAS registry number 7460-12-0,is also known as (S-(R*,R*))-alpha-(1-(Methylamino)ethyl)benzenemethanol sulfate. It belongs to the product categories of Organics.Its EINECS number is 231-243-2. This chemical's molecular formula is 2(C10H15NO).H2SO4 and molecular weight is 428.54. What's more,Its systematic name is Bis((S-(R*,R*))-(beta-hydroxy-alpha-methylphenethyl)methylammonium) sulphate.Its safety information is(1)RIDADR: 1544; (2)HazardClass: 6.1(b); (3)PackingGroup: III.
Physical properties about Pseudoephedrine sulfate are:
(1)ACD/LogP: 1.054; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.99; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 ?2; (13)Flash Point: 85.6 °C; (14)Enthalpy of Vaporization: 52.03 kJ/mol; (15)Boiling Point: 255 °C at 760 mmHg; (16)Vapour Pressure: 0.00865 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=S(=O)(O)O.O[C@@H](c1ccccc1)[C@@H](NC)C.O[C@@H](c1ccccc1)[C@@H](NC)C;
(2)Std. InChI:InChI=1S/2C10H15NO.H2O4S/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h2*3-8,10-12H,1-2H3;(H2,1,2,3,4)/t2*8-,10+;/m00./s1;
(3)Std. InChIKey:CAVQBDOACNULDN-NRCOEFLKSA-N.