Oryzalin

C₁₂H₁₈N₄O₆SCAS 19044-88-3346.36 g/mol

Open in Covalent MOL file

Nitro Sulfonamide Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₄O₆S
Molar mass: 346.36 g/mol
Exact mass: 346.0947 Da
Melting point: 137–138 °C
pKa: 9.4
Water solubility: 2.5 mg/L
logP: 1.78Crippen estimate
Polar surface area: 149.7 Å²
H-bond donors / acceptors: 1 / 7
Rotatable bonds: 8

Hazards

Warning

H317 May cause an allergic skin reaction96.1% of notifiers
H400 Very toxic to aquatic life96.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects96.1% of notifiers

Aggregated from 127 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

19044-88-3

SMILES

CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]

InChIKey

UNAHYJYOSSSJHH-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-
Sulfanilamide, 3,5-dinitro-N4,N4-dipropyl-
4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide
Surflan
EL 119
Ryzelan
3,5-Dinitro-N4,N4-dipropylsulfanilamide
N4,N4-Dipropyl-3,5-dinitrosulfanilamide
Rizelan
Dirimal
NSC 648479
Oryzalin 4 pro

Work with Oryzalin

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trifluralin1582-09-857 % similar 4-Methyl-3-nitrobenzenesulfonamide6949-23-151 % similar Prodiamine29091-21-249 % similar 4-Fluoro-3-nitrobenzenesulfonamide406233-31-648 % similar 4-Chloro-3-nitrobenzenesulfonamide97-09-648 % similar Benfluralin1861-40-144 % similar 4-Nitrobenzenesulfonamide6325-93-542 % similar 3-Nitrobenzenesulfonamide121-52-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook