N-Butyl-N'-methyl-N-nitrosourea
Basic information
- CAS
107020-53-1- Standard SMILES
CCCCN(N=O)C(=O)NC- InChIKey
ZTQQASPCWFYRHI-UHFFFAOYSA-N- Molecular formula
- C6H13N3O2
- Average molar mass
- 159.19 g/mol
- Monoisotopic mass
- 159.10077667
Names & identifiers
- Preferred name
- N-Butyl-N'-methyl-N-nitrosourea
- IUPAC
- 1-butyl-3-methyl-1-nitrosourea
Names & synonyms
N-Butyl-N'-methyl-N-nitrosourea107020-53-1Urea, 1-butyl-3-methyl-1-nitroso-CCRIS 24321-butyl-3-methyl-1-nitrosourea3K77G3E7UZDTXSID90147877N-butyl-N'-methyl-N-nitroso-UreaUrea, N-butyl-N'-methyl-N-nitroso-
Database identifiers
- CAS
107020-53-1- PubChem CID
- 135686
- DTXSID
DTXSID90147877- UNII
- 3K77G3E7UZ
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
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Compound notes
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