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Benzenamine, 4-(Phenylmethoxy)-, Hydrochloride (1:1)
CAS: 51388-20-6 | C13H14ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51388-20-6
Molecular Formula:
C13H14ClNO
Molecular Mass:
235.71 g/mol
Names and Synonyms:
Benzenamine, 4-(Phenylmethoxy)-, Hydrochloride (1:1)
Benzenamine, 4-(phenylmethoxy)-, hydrochloride (1:1)
Benzenamine, 4-(phenylmethoxy)-, hydrochloride
p-(Benzyloxy)aniline hydrochloride
4-(Benzyloxy)aniline hydrochloride
4-Benzyloxyaniline hydrochloric acid salt
4-Benzyloxyphenylamine hydrochloride
4-(Phenylmethoxy)aniline hydrochloride
4-[(Phenylmethyl)oxy]aniline hydrochloride
Identifiers:
SMILES:
Cl.Nc1ccc(OCc2ccccc2)cc1
InChI:
InChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H
Key Properties
Melting Point
222-223 °C
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 | 235.71 g/mol | CAS Common Chemistry |
| 235.714 g/mol | RDKit | |
| 235.076391748 g/mol | RDKit | |
| Canonical SMILES | Cl.O(C1=CC=C(N)C=C1)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=KQBDLOVXZHOAJI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 222-223 °C | CAS Common Chemistry |
| Name | Benzenamine, 4-(phenylmethoxy)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | 3.2696000000000014 | RDKit |
| Molar Refractivity | 68.87640000000003 | RDKit |
