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Phenylpropanolamine Hydrochloride
CAS: 154-41-6 | C9H14ClNO
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
154-41-6
Molecular Formula:
C9H14ClNO
Molecular Mass:
187.67 g/mol
Names and Synonyms:
Phenylpropanolamine Hydrochloride
Benzenemethanol, α-[(1R)-1-aminoethyl]-, hydrochloride (1:1), (αS)-rel-
Norephedrine, hydrochloride, (±)-
Benzenemethanol, α-(1-aminoethyl)-, hydrochloride, (R*,S*)-(±)-
Benzenemethanol, α-[(1R)-1-aminoethyl]-, hydrochloride, (αS)-rel-
(±)-2-Amino-1-phenyl-1-propanol hydrochloride
dl-Norephedrine hydrochloride
(±)-Phenylpropanolamine hydrochloride
(±)-Norephedrine hydrochloride
(±)-Norephedrine chloride
Phenylpropanolamine hydrochloride
dl-Phenylpropanolamine hydrochloride
Propadrine hydrochloride
IP 58064
Benzenemethanol, α-(1-aminoethyl)-, hydrochloride, (R*,S*)-
Norephedrine hydrochloride
Thinz-Span
Acutrim
Permathene 16
Dexatrim
erythro-Norephedrine hydrochloride
Kontexin
Obestat
Mydriatin
Monydrin
NSC 23798
Guaifen
Flurest
Identifiers:
SMILES:
C[C@H](N)[C@H](O)c1ccccc1.Cl
InChI:
InChI=1/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H/t7-,9-;/s2
Key Properties
Melting Point
194 °C
CAS Common Chemistry
Density
1.25 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.67 g/mol | CAS Common Chemistry |
| 187.076391748 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.25 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl.OC(C=1C=CC=CC1)C(N)C | CAS Common Chemistry |
| InChI | InChI=1/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H/t7-,9-;/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=DYWNLSQWJMTVGJ-ZSBYJLLINA-N | CAS Common Chemistry |
| Melting Point | 194 °C | CAS Common Chemistry |
| Name | Phenylpropanolamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.25 Ų | RDKit |
| LogP | 1.489 | RDKit |
| Molar Refractivity | 52.29920000000003 | RDKit |
