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(-)-Phenylpropanolamine
CAS: 492-41-1 | C9H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
492-41-1
Molecular Formula:
C9H13NO
Molecular Weight:
151.20899999999997 g/mol
Names and Synonyms:
(-)-Phenylpropanolamine
(1S,2R)-2-Hydroxy-2-phenyl-1-methyl-1-aminoethane
L-Norephedrine
NSC 17704
(1R,2S)-2-Amino-1-phenyl-1-propanol
(-)-Phenylpropanolamine
(1R,2S)-2-Amino-1-phenyl-1-propanol
(R,S)-(-)-Norephedrine
(1R,2S)-Norephedrine
(-)-Norephedrin
l-Phenylpropanolamine
(-)-erythro-2-Amino-2-methyl-1-phenylethanol
Norephedrine, (-)-
(1R,2S)-(-)-Norephedrine
(-)-Norephedrine
l-Norephedrine
erythro-(1R,2S)-Norephedrine
(αR)-α-[(1S)-1-Aminoethyl]benzenemethanol
Benzenemethanol, α-(1-aminoethyl)-, [R-(R*,S*)]-
Benzenemethanol, α-[(1S)-1-aminoethyl]-, (αR)-
Identifiers:
SMILES:
C[C@H](N)[C@H](O)c1ccccc1
InChI:
InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | cas-canonical-smile | OC(C=1C=CC=CC1)C(N)C | Legacy Database |
| molecular_mass | 151.21 g/mol | Legacy Database | |
| cas-inchi | InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1 | Legacy Database | |
| cas-inchi-key | InChIKey=DLNKOYKMWOXYQA-CBAPKCEASA-N | Legacy Database | |
| cas-melting-point | 49-50 °C | Legacy Database | |
| cas-name | (-)-Phenylpropanolamine | Legacy Database | |
| LogP | 1.0672000000000001 | RDKit | |
| Molecular | Molecular Weight | 151.20899999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.099714036 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 46.25 Ų | RDKit |
| Molar | Molar Refractivity | 45.05120000000002 | RDKit |
