Butyl carbamate
Properties
- Molecular formula
- C5H11NO2
- Molar mass
- 117.15 g/mol
- Exact mass
- 117.0790 Da
- Melting point
- 53 °C
- Boiling point
- 108 °C
- logP
- 1.30Crippen estimate
- Polar surface area
- 53.3 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed97.7% of notifiers
- H317 May cause an allergic skin reaction24.3% of notifiers
- H318 Causes serious eye damage97.3% of notifiers
- H341 Suspected of causing genetic defects47.3% of notifiers
- H351 Suspected of causing cancer47.3% of notifiers
Aggregated from 222 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P333+P317, P362+P364, P405, P501
Identifiers
CAS number
592-35-8SMILES
CCCCOC(=N)OInChIKey
SKKTUOZKZKCGTB-UHFFFAOYSA-NInChI
InChI=1S/C5H11NO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3,(H2,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Carbamic acid, butyl ester
- n-Butyl carbamate
- NSC 187
Reactions
Work with Butyl carbamate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Ethyl carbamate51-79-654 % similar
2-Chloroethyl carbamate2114-18-350 % similar
Phenprobamate673-31-450 % similar
Meprobamate57-53-448 % similar
Dibutyl oxalate2050-60-446 % similar
Dibutyl carbonate542-52-946 % similar
Butyl hexanoate626-82-445 % similar
Butyl laurate106-18-344 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds