Terbuthylazine

C₉H₁₆ClN₅CAS 5915-41-3229.71 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₉H₁₆ClN₅
Molar mass: 229.71 g/mol
Exact mass: 229.1094 Da
Density: 1.188 g/mL (at 20 °C)
Melting point: 177–179 °C
pKa: 2
Water solubility: 5 mg/L (20 °C)
logP: 1.59Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-323-00-2), via PubChem.

Precautionary statements

P260, P264, P270, P273, P301+P317, P319, P330, P391, P501

Identifiers

CAS number

5915-41-3

SMILES

CCN=c1nc(Cl)nc(NC(C)(C)C)[nH]1

InChIKey

FZXISNSWEXTPMF-UHFFFAOYSA-N

InChI

InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)

Weigh it out

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

Names and synonyms

25 names · show all

1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-ethyl-
s-Triazine, 2-(tert-butylamino)-4-chloro-6-(ethylamino)-
1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1,1-dimethylethyl)-N′-ethyl-
6-Chloro-N2-(1,1-dimethylethyl)-N4-ethyl-1,3,5-triazine-2,4-diamine
GS 13529
2-tert-Butylamino-4-chloro-6-ethylamino-s-triazine
2-Chloro-4-tert-butylamino-6-ethylamino-s-triazine
2-Chloro-4-(ethylamino)-6-(tert-butylamino)-s-triazine
2-Chloro-4-ethylamino-6-tert-butylamino-1,3,5-triazine
Terbutylethylazine
Gardoprim
Gardeprim A 1862
G 13529
Primatol M
Terbutylazine
4-Ethylamino-6-tert-butylamino-2-chloro-S-triazine
ChlorCaragard
Terbutazine
tert-Butylazine
Tyllanex
N-tert-Butyl-6-chloro-N′-ethyl-1,3,5-triazine-2,4-diamine
6-Chloro-2-tert-butylamino-4-(ethylamino)-[1,3,5]-triazine
Click 500SC
Click
2-N-tert-Butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine

Work with Terbuthylazine

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

Cyanazine21725-46-268 % similar Terbutryn886-50-049 % similar Simazine122-34-943 % similar Atrazine1912-24-938 % similar Simetryn1014-70-634 % similar Simeton673-04-134 % similar Irgarol28159-98-034 % similar Ametryn834-12-830 % similar

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

Same formula

Propazine139-40-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia