Basic information
- CAS
6947-35-9- Standard SMILES
Cc1ccc(N(N=O)c2ccc(C)cc2)cc1- InChIKey
DLTUUQHYSNVKPR-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- Di-p-tolylnitrosamin
- IUPAC
- N,N-bis(4-methylphenyl)nitrous amide
Names & synonyms
6947-35-9Di-p-tolylnitrosaminNSC56928N,N-di-p-Tolylnitrous amideN-nitroso-di-(p-tolyl)amineSCHEMBL3683260NSC-569284-methyl-N-(4-methylphenyl)-N-nitroso-Benzenamine
Database identifiers
- CAS
6947-35-9- PubChem CID
- 245214
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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