N-Methyl-3-nitro-p-phenylenediamine
Basic information
- CAS
2973-21-9- Standard SMILES
CNc1ccc(N)c([N+](=O)[O-])c1- InChIKey
XSHZMHVULBOPDY-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2
- Average molar mass
- 167.17 g/mol
- Monoisotopic mass
- 167.06947654
Overview
See also: 1,4-Benzenediamine, N4-methyl-2-nitro- (annotation moved to).
Names & identifiers
- Preferred name
- N-Methyl-3-nitro-p-phenylenediamine
- IUPAC
- 4-N-methyl-2-nitrobenzene-1,4-diamine
- English name
- N-methyl-2-nitrobenzene-1,4-diamine
- Molecular formula
- C7H9N3O2
- Molecular weight
- 167.17
Names & synonyms
2973-21-9N-Methyl-3-nitro-p-phenylenediamineN1-METHYL-3-NITROBENZENE-1,4-DIAMINEN-Methyl-2-nitrobenzene-1,4-diamine33GGQ52SC34-amino-1-methylamino-3-nitrobenzeneN-4-Methyl-2-nitro-1,4-benzenediamineEINECS 221-014-5UNII-33GGQ52SC3SCHEMBL112673DTXSID50863066XSHZMHVULBOPDY-UHFFFAOYSA-N
Show more names
N'-Methyl-2-nitro-1,4-benzenediamine
1-amino-2-nitro-4-methylaminobenzeneN~4~-Methyl-2-nitrobenzene-1,4-diamine1,4-Benzenediamine, N-4-methyl-2-nitro-NS000138961-METHYLAMINO-3-NITRO-4-AMINOBENZENEP-PHENYLENEDIAMINE, N4-METHYL-2-NITRO-1,4-BENZENEDIAMINE, N-4-METHYL-2-NITROQ27256268
Database identifiers
- CAS
2973-21-9- PubChem CID
- 5483097
- DTXSID
DTXSID50863066- UNII
- 33GGQ52SC3
- EC Number
- 221-014-5
- Nikkaji
- J306.891I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
CosmeticsHair dyeing
Physicochemical properties
- Melting point
- 115 · 115-116 °C
- Boiling point
- 341.227 · 341.227±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.359 · 1.359±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.731 · 3.731±0.25(predicted)
- Cosmetics Ingredients Functions
- HAIR DYEING
- EWG's Food Scores
- 1 · 1-4
- FDA UNII
- 33 GGQ52SC3 · 33GGQ52SC3
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Hair dyeing
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…