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1-Methyl-3-Phenylpropylamine
CAS: 22148-77-2 | C10H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22148-77-2
Molecular Formula:
C10H15N
Molecular Weight:
149.237 g/mol
Names and Synonyms:
1-Methyl-3-Phenylpropylamine
3-Phenyl-1-methylpropylamine
4-Phenyl-2-butylamine
(3-Aminobutyl)benzene
4-Phenyl-2-butanamine
NSC 115524
(RS)-1-Methyl-3-phenylpropylamine
2-Amino-4-phenylbutane
(±)-3-Amino-1-phenylbutane
(±)-1-Methyl-3-phenylpropylamine
DL-1-Methyl-3-phenylpropylamine
(±)-α-Methylbenzenepropanamine
4-Phenyl-2-aminobutane
1-Methyl-3-phenylpropylamine
3-Amino-1-phenylbutane
1-Phenyl-3-aminobutane
α-Methylbenzenepropanamine
Propylamine, 1-methyl-3-phenyl-
Benzenepropanamine, α-methyl-
Identifiers:
SMILES:
CC(N)CCc1ccccc1
InChI:
InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.237 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.12044948 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.9664000000000001 | RDKit |
| cas-name | 1-Methyl-3-phenylpropylamine None | Legacy Database |
| molecular_mass | 149.24 g/mol | Legacy Database |
| density | 0.93 g/cm³ | Legacy Database |
| cas-boiling-point | 223 °C None | Legacy Database |
| cas-canonical-smile | NC(C)CCC=1C=CC=CC1 None | Legacy Database |
| cas-density | 0.9289 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=WECUIGDEWBNQJJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 143 °C None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 48.41240000000003 | RDKit |
