N-Butyl-N'-methylurea
Basic information
- CAS
6135-36-0- Standard SMILES
CCCCNC(=O)NC- InChIKey
SIVFQKCLFRMMSZ-UHFFFAOYSA-N- Molecular formula
- C6H14N2O
- Average molar mass
- 130.19 g/mol
- Monoisotopic mass
- 130.11061307
Names & identifiers
- Preferred name
- N-Butyl-N'-methylurea
- IUPAC
- 1-butyl-3-methylurea
- English name
- 1-butyl-3-methyl-urea
- Molecular formula
- C6H14N2O
- Molecular weight
- 130.19
Names & synonyms
Urea, 1-butyl-3-methyl-6135-36-0n-Butyl-N'-methylureaDTXSID40210262RefChem:1091653DTXCID401327531-Butyl-3-methylureaUrea, N-butyl-N'-methyl-NSC 69427BRN 20385551-BUTYL-3-METHYL-UREANSC69427
Show more names
N-Methyl-N'-Butyl Urean-Butyl-N'-methylurea #SCHEMBL604471SCHEMBL604472SCHEMBL966314SCHEMBL1416275SCHEMBL1455248SCHEMBL27538924
Database identifiers
- CAS
6135-36-0- PubChem CID
- 96349
- DTXSID
DTXSID40210262- Nikkaji
- J2.717.585F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
Physicochemical properties
- Boiling point
- 266.2 · 266.2±9.0 °C(Predicted)
- Density
- 0.914 · 0.914±0.06 g/cm3(Predicted)
- pka
- 14.74 · 14.74±0.46(Predicted)
Related reactions
2 records
Compound notes
Loading…