N-(n-Butyl)thiophosphoric triamide

C₄H₁₄N₃PSCAS 94317-64-3167.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₄N₃PS
Molar mass: 167.21 g/mol
Exact mass: 167.0646 Da
Melting point: 54 °C
logP: 0.52Crippen estimate
Polar surface area: 64.1 Å²
H-bond donors / acceptors: 3 / 1
Rotatable bonds: 4

Hazards

Danger

H318 Causes serious eye damage100% of notifiers
H361 Suspected of damaging fertility or the unborn child97.3% of notifiers

Aggregated from 185 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264+P265, P280, P305+P354+P338, P317, P318, P405, P501

Identifiers

CAS number

94317-64-3

SMILES

CCCCNP(N)(N)=S

InChIKey

HEPPIYNOUFWEPP-UHFFFAOYSA-N

InChI

InChI=1S/C4H14N3PS/c1-2-3-4-7-8(5,6)9/h2-4H2,1H3,(H5,5,6,7,9)

Weigh it out

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

Names and synonyms

12 names

Phosphorothioic triamide, N-butyl-
Phosphorothioic triamide, butyl-
N-Butylphosphorothioic triamide
N-Butylthiophosphoric triamide
N-(n-Butyl)phosphorothioic triamide
Agrotain
Agrotain plus
Agrotain DC
ArmU
Agrotain ultra
Agrotain prime
N-(n-Butyl)thiophosphoric acid triamide

Work with N-(n-Butyl)thiophosphoric triamide

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

Dibutylamine111-92-240 % similar Methylbutylamine110-68-937 % similar N1-Butyl-1,2-ethanediamine19522-69-137 % similar Ethylbutylamine13360-63-936 % similar Dipentylamine2050-92-233 % similar Butylethanolamine111-75-132 % similar Dioctylamine1120-48-532 % similar Didecylamine1120-49-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia