2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine maleate

C13H11Cl2N5O4CAS 84504-69-8372.16 g/mol

Open in Covalent MOL file
NHNClClNHHNHNOHOOOH
AlkeneAryl halideCarboxylic acid

Properties

Molecular formula
C13H11Cl2N5O4
Molar mass
372.16 g/mol
Exact mass
371.0188 Da
Melting point
205 °C (decomposes)
logP
1.38Crippen estimate
Polar surface area
166.8 Ų
H-bond donors / acceptors
6 / 5
Rotatable bonds
3

Hazards

Warning
Health Hazard (GHS08)

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

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
84504-69-8
SMILES
N=c1nc(-c2cc(Cl)ccc2Cl)[nH]c(=N)[nH]1.O=C(O)/C=CC(=O)O
InChIKey
PJLVTVAIERNDEQ-BTJKTKAUSA-N
InChI
InChI=1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-

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Names and synonyms

6 names
  • 1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (2Z)-2-butenedioate (1:1)
  • 1,3,5-Triazine-2,4-diamine, 6-(2,5-dichlorophenyl)-, (Z)-2-butenedioate (1:1)
  • MN 1695
  • Irsogladine maleate
  • Gaslon
  • Gaslon N

Work with 2,4-Diamino-6-(2,5-dichlorophenyl)-s-triazine maleate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fumaric acid110-17-8Free acid, defined stereoisomer Maleic acid110-16-7Free acid Poly(maleic acid)26099-09-2Free acid Irsogladine57381-26-7Free base Iron(II) fumarate141-01-5Salt, defined stereoisomer Enalapril maleate76095-16-4Salt, defined stereoisomer Pyrilamine maleate59-33-6Salt Chlorpheniramine maleate113-92-8Salt Timolol maleate26921-17-5Salt, defined stereoisomer Sodium fumarate5873-57-4Salt, defined stereoisomer Clemastine fumarate14976-57-9Salt, defined stereoisomer Calcium fumarate19855-56-2Salt, defined stereoisomer

Similar compounds

(2E)-3-(2,5-Dichlorophenyl)prop-2-enoic acid20595-47-546 % similar 3-(2,4-Dichlorophenyl)-2-propenoic acid1201-99-643 % similar trans-2,4-Dichlorocinnamic acid20595-45-343 % similar (2E)-4-(4-Chlorophenyl)-4-oxo-2-butenoic acid6269-33-638 % similar 3,4-Dichlorocinnamic acid1202-39-737 % similar (2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-637 % similar 3-(3-Chlorophenyl)-2-propenoic acid1866-38-237 % similar 3-(4-Chloro-2-fluorophenyl)-2-propenoic acid202982-65-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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