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4-Amino-N,N-Dimethylbenzenemethanamine
CAS: 6406-74-2 | C9H14N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6406-74-2
Molecular Formula:
C9H14N2
Molecular Weight:
150.225 g/mol
Names and Synonyms:
4-Amino-N,N-Dimethylbenzenemethanamine
4-(Dimethylaminomethyl)phenylamine
NSC 207808
4-[(N,N-Dimethylamino)methyl]aniline
4-(Dimethylaminomethyl)aniline
4-Amino-N,N-dimethylbenzylamine
N-(p-Aminobenzyl)dimethylamine
4-Amino-N,N-dimethylbenzenemethanamine
Toluene-α,4-diamine, Nα,Nα-dimethyl-
Benzenemethanamine, 4-amino-N,N-dimethyl-
Identifiers:
SMILES:
CN(C)Cc1ccc(N)cc1
InChI:
InChI=1S/C9H14N2/c1-11(2)7-8-3-5-9(10)6-4-8/h3-6H,7,10H2,1-2H3
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 | molecular_mass | 150.23 g/mol | Legacy Database |
| cas-canonical-smile | NC1=CC=C(C=C1)CN(C)C | Legacy Database | |
| cas-inchi | InChI=1S/C9H14N2/c1-11(2)7-8-3-5-9(10)6-4-8/h3-6H,7,10H2,1-2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=NNCCQALFJIMRKB-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 4-Amino-N,N-dimethylbenzenemethanamine | Legacy Database | |
| LogP | 1.3304 | RDKit | |
| Molecular | Molecular Weight | 150.225 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.115698448 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| Molar | Molar Refractivity | 48.245400000000025 | RDKit |
