Basic information
- CAS
5461-30-3- Standard SMILES
CCCCOC(=O)NC- InChIKey
YAUWHXKOYHADTR-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- Butyl methylcarbamate
- IUPAC
- butyl N-methylcarbamate
- English name
- N-Methylcarbamic acid butyl ester
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
butyl methylcarbamatebutyl N-methylcarbamate5461-30-3Butyl N-methyl carbamatestarbld0044240n-butyl N-methylcarbamateO-butyl-N-methyl-carbamateSCHEMBL968305SCHEMBL968307SCHEMBL1170767SCHEMBL1416091SCHEMBL1416093
Show more names
N-Methylcarbamic acid butyl esterCarbamic acid, N-methyl-, butyl ester
DTXSID40277991NSC5582Carbamic acid, methyl, butyl esterFAA46130NSC-5582AKOS006348498
Database identifiers
- CAS
5461-30-3- PubChem CID
- 221249
- DTXSID
DTXSID40277991- Nikkaji
- J243.116E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 95 °C · 95 °C(Press: 16 Torr)
- Density
- 0.937 · 0.937±0.06 g/cm3(Predicted)
- solubility
- soluble in Chloroform; Ethyl Acetate
- pka
- 12.95 · 12.95±0.46(Predicted)
Chemistry & industry
Applications
UsesButyl Methylcarbamate is an intermediate in synthesizing Furathiocarb (F863780), a pesticide.
Suppliers2 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
3 records
Compound notes
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