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321-97-1

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Basic Information
CAS No.: 321-97-1
Name: (-)-Pseudoephedrine
Article Data: 57
Molecular Structure:
Molecular Structure of 321-97-1 ((-)-Pseudoephedrine)
Formula: C10H15NO
Molecular Weight: 165.235
Synonyms: Benzenemethanol,a-[1-(methylamino)ethyl]-,[R-(R*,R*)]-;Pseudoephedrine, (-)- (8CI);(-)-(1R,2R)-Pseudoephedrine;(-)-Pseudoephedrine;(-)-threo-Ephedrine;(-)-y-Ephedrine;(1R,2R)-(-)-Pseudoephedrine;(1R,2R)-Ephedrine;(1R,2R)-Pseudoephedrine;(aR)-a-[(1R)-1-(methylamino)ethyl]benzenemethanol;D-(-)-Pseudoephedrine;D-Pseudoephedrine;l-(1R,2R)-Pseudoephedrine;l-Pseudoephedrine;
EINECS: 206-292-8
Density: 1.015 g/cm3
Melting Point: 118-120 °C(lit.)
Boiling Point: 255 °C at 760 mmHg
Flash Point: 85.6 °C
Appearance: white to almost white crystalline powder
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 26-37/39
PSA: 32.26000
LogP: 1.71880
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Specification

The (-)-Pseudoephedrine, its cas register number is 321-97-1. It also can be called as alpha-(1-Methylaminoethyl)benzyl alcohol and the IUPAC name about this chemical is (1R,2R)-2-(methylamino)-1-phenylpropan-1-ol. It belongs to the Pharmaceutical Raw Materials.

Physical properties about (-)-Pseudoephedrine are: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): -1.99; (3)ACD/LogD (pH 7.4): -0.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.47Å2; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 50.15 cm3; (14)Molar Volume: 162.7 cm3; (15)Polarizability: 19.88x10-24cm3; (16)Surface Tension: 38 dyne/cm; (17) Enthalpy of Vaporization: 52.03 kJ/mol; (18)Vapour Pressure: 0.00865 mmHg at 25°C

The (-)-Pseudoephedrine is a white to almost white crystalline powder and it can be used as a decongestant, relieves nasal discomfort caused by colds, allergies, and hay fever.

When you are using this chemical, you should be very cautious. Being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin. Also this chemical is harmful by inhalation, in contact with skin and if swallowed. When you are contacting with it, wear suitable gloves and eye/face protection. And if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(C1=CC=CC=C1)O)NC
(2)Isomeric SMILES: C[C@H]([C@@H](C1=CC=CC=C1)O)NC
(3)InChI: InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m1/s1 
(4)InChIKey: KWGRBVOPPLSCSI-SCZZXKLOSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 248mg/kg (248mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
BEHAVIORAL: TREMOR
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmaceutical Sciences. Vol. 53, Pg. 987, 1964.
 
mouse LD50 intravenous 105mg/kg (105mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Pharmacology and Experimental Therapeutics. Vol. 148, Pg.