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Molecule
N,N-Dimethyl-4-Nitrosoaniline
CAS: 138-89-6 · C8H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 138-89-6
- Molecular Formula
- C8H10N2O
- Molecular Mass
- 150.18 g/mol
Identifiers
CAS Registry Number
138-89-6
SMILES
CN(C)c1ccc(N=O)cc1
InChI Key
CMEWLCATCRTSGF-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3
Names and Synonyms
- N,N-Dimethyl-4-Nitrosoaniline Synonym
- Benzenamine, N,N-dimethyl-4-nitroso- Synonym
- Aniline, N,N-dimethyl-p-nitroso- Synonym
- N,N-Dimethyl-4-nitrosobenzenamine Synonym
- Accelerine Synonym
- NDMA Synonym
- p-Nitroso-N,N-dimethylaniline Synonym
- Ultra Brilliant Blue P Synonym
- N,N-Dimethyl-4-nitrosoaniline Synonym
- p-(Dimethylamino)nitrosobenzene Synonym
- 4-Nitroso-N,N-dimethylaniline Synonym
- 4-(Dimethylamino)nitrosobenzene Synonym
- p-(N,N-Dimethylamino)nitrosobenzene Synonym
- 1-(Dimethylamino)-4-nitrosobenzene Synonym
- N,N-Dimethyl-p-nitrosoaniline Synonym
- p-NDMA Synonym
- 4-Nitroso-N,N-dimethylaminobenzene Synonym
- NSC 2775 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.18 g/mol | CAS Common Chemistry |
| 150.18099999999998 g/mol | RDKit | |
| 150.181 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.145 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=NC1=CC=C(C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CMEWLCATCRTSGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92.5-93.5 °C | CAS Common Chemistry |
| Name | N,N-Dimethyl-4-nitrosoaniline | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.67 Ų | RDKit |
| 32.44 Ų | chempirical lib | |
| LogP | 2.1505 | RDKit |
| Molar Refractivity | 46.224000000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 150.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 150.18 g/mol; density = 1.150 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O.
