Basic information
- CAS
51018-28-1- Standard SMILES
C[C@@H]([C@@H](O)c1ccccc1)N(C)C- InChIKey
FMCGSUUBYTWNDP-GXSJLCMTSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Overview
(+)-N-methylpseudoephedrine is a member of amphetamines.
Names & identifiers
- Preferred name
- (1S,2S)-(+)-N-Methylpseudoephedrine
- IUPAC
- (1S,2S)-2-(dimethylamino)-1-phenylpropan-1-ol
- English name
- (1S,2S)-(+)-N-Methylpseudoephedrine
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
methylpseudoephedrine(1S,2S)-(+)-N-MethylpseudoephedrineN-MethylpseudoephedrineRefChem:393977N-Methylpseudoephedrine, its salts, optical isomers, and salts of optical isomers625-975-5(+)-N-Methylpseudoephedrine51018-28-1(1S,2S)-2-(dimethylamino)-1-phenylpropan-1-ol(1S,2s)-n-methylpseudoephedrineN-Methyl Pseudoephedrine6P8GZM6LZU
Show more names
(1S,2S)-(+)-N-METHYLEPHEDRINE(+)-1S,2S-METHYLPSEUDOEPHEDRINEMETHYLPSEUDOEPHEDRINE, (+)-1S,2S-(+)-1S,2S-N-METHYLPSEUDOEPHEDRINE(1S,2S)-(+)-N-METHYL-PSI-EPHEDRINEMETHYLPSEUDOEPHEDRINE, (+)-1S,2S-N-
(1S,2S)-N-Methylephedrined-(1s,2s)-methylpseudoephedrine(+)-methylpseudoephedrine(+)-N-Methyl-psi-ephedrine2-(Dimethylamino)-1-phenyl-1-propanol #D-MethylpseudoephedrineUNII-6P8GZM6LZUSCHEMBL907777
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 29 · 29-31 °C(lit.)
- Boiling point
- 145 °C24 · 145 °C24 mm Hg(lit.)
- Density
- 1.002 · 1.0020 (rough estimate)
- refractive index
- 1.532 · 1.5320 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.88 · 13.88±0.20(Predicted)
- color
- White to Off-White
- FDA UNII
- 6 P8GZM6LZU · 6P8GZM6LZU
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xn
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- 1544
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
DEA Listed Chemicals
N-Methylpseudoephedrine, its salts, optical isomers, and salts of optical isomers
A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
Applications
UsesN-Methylpseudoephedrine is a N-methylated analogue of the non-selective adrenergic agonist Pseudoephedrine (P839350). N-Methylpseudoephedrine is an alkaloid from Ephedra species widely used in Chinese medicine.
Additional notes
DefinitionChEBI: (+)-N-methylpseudoephedrine is a member of amphetamines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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