Basic information
- CAS
321-97-1- Standard SMILES
CN[C@H](C)[C@H](O)c1ccccc1- InChIKey
KWGRBVOPPLSCSI-SCZZXKLOSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Overview
(−)-pseudoephedrine has been reported in Sida cordifolia and Ephedra intermedia with data available.
Names & identifiers
- Preferred name
- (-)-Pseudoephedrine
- IUPAC
- (1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
- English name
- (-)-Pseudoephedrine
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
(-)-Pseudoephedrinel-Pseudoephedrine321-97-1Pseudoephedrine, (-)-(-)-threo-EphedrineD-(-)-Pseudoephedrine(1R,2R)-Ephedrine(-)-psi-Ephedrinel-(1R,2R)-PseudoephedrineCPDD 0049(-)-(1R,2R)-PseudoephedrineEINECS 206-292-8
Show more names
(-)-y-EphedrinePSEUDOEPHEDRINE BASER,R(-)-PSEUDOEPHEDRINEl-Pseudoephedrine baseS,S(+)-Pseudoephedrine
S76J9U46STEC 206-292-8Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R-(R*,R*))-PSEUDOEPHEDRINE, L-CPDD-0049Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, (alphaR)-DTXSID90185895(.ALPHA.R)-.ALPHA.-((1R)-1-(METHYLAMINO)ETHYL)BENZENEMETHANOL
Database identifiers
- CAS
321-97-1- PubChem CID
- 62946
- DTXSID
DTXSID90185895- ChEMBL
CHEMBL2110905- UNII
- S76J9U46ST
- EC Number
- 206-292-8
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
Solubility>24.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 118 · 118-120 °C(lit.)
- Boiling point
- 255 · 255.0±0.0 °C(Predicted)
- alpha
- -51 · -51 º (c=0.6, EtOH)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- Flash point
- 9 ℃ · 9℃
- storage temp.
- Refrigerator (+4°C)
- pka
- 13.96 · 13.96±0.20(Predicted)
- optical activity
- 20 · [α]20/D 51°, c = 0.6 in ethanol
- BRN
- 2803417 · 2803417
- LogP
- 0.683 at · 0.683 at 25℃
- CAS DataBase Reference
- 321 · 321-97-1(CAS DataBase Reference)
- FDA UNII
- 76 J9U46ST · S76J9U46ST
- Symbol(GHS)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 145 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 12-08-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11943
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- UL5750500
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- hs_code
- 29394200
- risk_code
- 20/21/22-36/37/38-39/23/24/25-23/24/25-11
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,T,F
- safety_code
- 26-37/39-45-36/37-16-7
- Hazard statements
- H302-H314-H317-H336
- REACH Registrations
- Active
- Precautionary statements
- P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
Uses(-)-Pseudoephedrine is used as respiratory system medications.
Upstream & downstream products
Upstream raw materials
Related reactions
14 records
Compound notes
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