Basic information
- CAS
23139-00-6- Standard SMILES
Cc1ccc(NC(=O)N(C)N=O)cc1- InChIKey
LROYCOOKXXUFRY-UHFFFAOYSA-N- Molecular formula
- C9H11N3O2
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.0851266
Overview
N1 same as NM; structure
Names & identifiers
- Preferred name
- N-Methyl-N'-(4-methylphenyl)-N-nitrosourea
- IUPAC
- 1-methyl-3-(4-methylphenyl)-1-nitrosourea
Names & synonyms
23139-00-6N-Methyl-N'-(4-methylphenyl)-N-nitrosoureaN-Methyl-N'-(p-methylphenyl)-N-nitrosoureaLI7Y3G72KKNSC-114147DTXSID80177704RefChem:163729DTXCID001001951-Methyl-1-nitroso-3-(p-tolyl)ureaUrea, N-methyl-N'-(4-methylphenyl)-N-nitroso-NSC 114147BRN 2939628
Show more names
NSC114147Urea, 1-methyl-1-nitroso-3-(p-tolyl)-UNII-LI7Y3G72KK1-METHYL-3-P-TOLYL-1-NITROSOUREAUREA, 1-METHYL-1-NITROSO-3-P-TOLYL-
Database identifiers
- CAS
23139-00-6- PubChem CID
- 97299
- DTXSID
DTXSID80177704- UNII
- LI7Y3G72KK
- Nikkaji
- J59.503I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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