structure of (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate

(4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate

CAS No.: 1002789-86-7
M. Wt: 366.331
M. Fa: C17H14N6O4
InChI Key: RRRDZFQRNJTKHL-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1002789-86-7

CAS Number

1002789-86-7

IUPAC Name

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate

InChI

InChI=1S/C17H14N6O4/c18-16-20-14(21-17(22-16)19-12-4-2-1-3-5-12)10-27-15(24)11-6-8-13(9-7-11)23(25)26/h1-9H,10H2,(H3,18,19,20,21,22)

InChIKey

RRRDZFQRNJTKHL-UHFFFAOYSA-N

Canonical SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Physical and chemical properties of 1002789-86-7

Acidity coefficient

3.69±0.10(Predicted)

Boiling Point

675.9±65.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

366.107666

Flash Point

362.6±34.3 °C

Index of Refraction

1.711

LogP

1.75

Molecular Formula

C17H14N6O4

Molecular Weight

366.331

Storage condition

2-8℃

Vapour Pressure

0.0±2.1 mmHg at 25°C

Physical sample testing spectrum (NMR) of 1002789-86-7

Physical sample testing spectrum (NMR) of 1002789-86-7