Butralin
Properties
- Molecular formula
- C14H21N3O4
- Molar mass
- 295.34 g/mol
- Exact mass
- 295.1532 Da
- Density
- 1.06 g/mL (at 25 °C)
- Melting point
- 60 °C
- Boiling point
- 135 °C
- Flash point
- 36.1 °C (open cup)
- Water solubility
- 1 mg/L (25 °C)
- logP
- 4.01Crippen estimate
- Polar surface area
- 98.3 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 5
Hazards
Warning
- H302 Harmful if swallowed95.8% of notifiers
- H319 Causes serious eye irritation97.2% of notifiers
- H341 Suspected of causing genetic defects93% of notifiers
- H400 Very toxic to aquatic life100% of notifiers
- H410 Very toxic to aquatic life with long lasting effects100% of notifiers
Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P391, P405, P501
Identifiers
CAS number
33629-47-9SMILES
CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]InChIKey
SPNQRCTZKIBOAX-UHFFFAOYSA-NInChI
InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Benzenamine, 4-(1,1-dimethylethyl)-N-(1-methylpropyl)-2,6-dinitro-
- Aniline, N-sec-butyl-4-tert-butyl-2,6-dinitro-
- 4-(1,1-Dimethylethyl)-N-(1-methylpropyl)-2,6-dinitrobenzenamine
- N-sec-Butyl-4-tert-butyl-2,6-dinitroaniline
- 70-314B
- Amchem 70-25
- 4-tert-Butyl-N-sec-butyl-2,6-dinitroaniline
- A 820
- 72-A34
- 4-tert-Butyl-N-mono-sec-butyl-2,6-dinitroaniline
- Dibutalin
- Amex 820
- Amex
- Butalin
- A 820 (Herbicide)
Work with Butralin
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
4-tert-Butyl-2,6-dinitroanisole77055-30-252 % similar
4-tert-Butyl-2,6-dinitrophenol4097-49-851 % similar
4-tert-Butyl-2-nitrophenol3279-07-045 % similar
4-tert-Butyl-1-chloro-2-nitrobenzene58574-05-345 % similar
4-(1,1-Dimethylethyl)-2-nitrobenzenamine6310-19-645 % similar
Pendimethalin40487-42-143 % similar
1,3,5-Tris(1,1-dimethylethyl)-2-nitrobenzene4074-25-343 % similar
N-Isopropyl-2-nitro-4-(trifluoromethyl)aniline175277-90-440 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds