Basic information
- Standard SMILES
CC(N)C(O)c1ccccc1- InChIKey
DLNKOYKMWOXYQA-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Overview
See also: Phenylpropanolamine (annotation moved to); (-)-Norpseudoephedrine (annotation moved to); Norpseudoephedrine (annotation moved to).
Names & identifiers
- Preferred name
- (1S,2R)-(+)-Norephedrine
- IUPAC
- 2-amino-1-phenylpropan-1-ol
- English name
- Benzenemethanol, -alpha--(1-aminoethyl)-
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
2-Amino-1-phenyl-1-propanol(1S,2R)-(+)-NorephedrineDTXSID70859305RefChem:393928DTXCID00196755628-077-148115-38-4alpha-(1-aminoethyl)benzyl alcoholNSC-120735UNII-683H0R96592-Amino-2-methyl-1-phenylethanol2-Amino-1-hydroxy-1-phenylpropane
Show more names
α-(1-Aminoethyl)benzenemethanolBenzenemethanol, α-(1-aminoethyl)-Benzenemethanol, -alpha--(1-aminoethyl)-
beta-Hydroxy-alpha-methylphenethylamineBenzenemethanol, alpha-(1-aminoethyl)-Benzenemethanol, .alpha.-(1-aminoethyl)-683H0R9659(-)-Pseudo NorephedrineNorpseudoephedrine, (+)-CHEMBL1365602-Amino-1-phenyl-1-propanol #
Database identifiers
- CAS
37577-28-9、48115-38-4- PubChem CID
- 4786
- DTXSID
DTXSID70859305- EC Number
- 628-077-1
- Nikkaji
- J136.573H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Phenethylamines (Amphetamines) (S)
Pharmaceuticals
Physicochemical properties
- Melting point
- 103 °C · 103 °C
- Boiling point
- 122 °C · 122 °C(Press: 4-5 Torr)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 12.07 · 12.07±0.45(Predicted)
- FDA UNII
- 683 H0R9659 · 683H0R9659
Safety & regulation
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, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Uses & manufacturing
UsesUse (kg; approx.) in Germany (2009): >100
Upstream & downstream products
Downstream products
Related reactions
17 records
Linked notes
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