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N,N-Bis(1-Methylethyl)Benzenamine
CAS: 4107-98-6 | C12H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4107-98-6
Molecular Formula:
C12H19N
Molecular Mass:
177.29 g/mol
Names and Synonyms:
N,N-Bis(1-Methylethyl)Benzenamine
Benzenamine, N,N-bis(1-methylethyl)-
Aniline, N,N-diisopropyl-
N,N-Bis(1-methylethyl)benzenamine
N,N-Diisopropylaniline
N,N-Diisopropylbenzenamine
Identifiers:
SMILES:
CC(C)N(c1ccccc1)C(C)C
InChI:
InChI=1S/C12H19N/c1-10(2)13(11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3
Key Properties
Boiling Point
205-210 °C @ Press: 0.1 Torr
CAS Common Chemistry
Melting Point
50-52 °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 | 177.29 g/mol | CAS Common Chemistry |
| 177.29099999999997 g/mol | RDKit | |
| 177.151749608 g/mol | RDKit | |
| Boiling Point | 205-210 °C @ Press: 0.1 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)N(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H19N/c1-10(2)13(11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OVSARSKQWCLSJT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50-52 °C | CAS Common Chemistry |
| Name | N,N-Bis(1-methylethyl)benzenamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 3.309800000000002 | RDKit |
| Molar Refractivity | 59.19300000000005 | RDKit |
