N-methyl-N'-(4-methoxyphenyl)-N-nitrosourea
Basic information
- CAS
25355-59-3- Standard SMILES
COc1ccc(NC(=O)N(C)N=O)cc1- InChIKey
SFNFVNDISFHEMX-UHFFFAOYSA-N- Molecular formula
- C9H11N3O3
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.08004122
Overview
structure
Names & identifiers
- Preferred name
- N-methyl-N'-(4-methoxyphenyl)-N-nitrosourea
- IUPAC
- 3-(4-methoxyphenyl)-1-methyl-1-nitrosourea
Names & synonyms
25355-59-3N-Methyl-N'-(p-methoxyphenyl)-N-nitrosoureaN-Methyl-N'-(4-methoxyphenyl)-N-nitrosourea2HFP4B6OJFUrea, N'-(4-methoxyphenyl)-N-methyl-N-nitroso-NSC-409831DTXSID90180002RefChem:163728DTXCID60102493Urea, 3-(p-methoxyphenyl)-1-methyl-1-nitroso-N'-(4-METHOXYPHENYL)-N-METHYL-N-NITROSOUREANSC 409831
Show more names
1-(p-Methoxyphenyl)-3-methyl-3-nitrosoureaBRN 2809664UNII-2HFP4B6OJFUrea, 1-(p-methoxyphenyl)-3-methyl-3-nitroso-NSC409831
Database identifiers
- CAS
25355-59-3- PubChem CID
- 93580
- DTXSID
DTXSID90180002- UNII
- 2HFP4B6OJF
- Nikkaji
- J59.500D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
LogP0.64
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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