Cyanurotriamide - Materials / Alfa Chemistry

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Cyanurotriamide

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Catalog Number

ACMA00016685

Product Name

Cyanurotriamide

Category

Polymers

Description

Melamine appears as colorless to white monoclinic crystals or prisms or white powder. Sublimes when gently heated. (NTP, 1992);DryPowder; DryPowder, Liquid; Liquid; WetSolid;Solid;COLOURLESS-TO-WHITE CRYSTALS.

IUPAC Name

1,3,5-triazine-2,4,6-triamine

Molecular Weight

126.12g/mol

Molecular Formula

C3H6N6;C3N3(NH2)3;C3H6N6

Canonical SMILES

C1(=NC(=NC(=N1)N)N)N

InChI

InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)

InChI Key

JDSHMPZPIAZGSV-UHFFFAOYSA-N

Boiling Point

Sublimes (NTP, 1992);Sublimes

Melting Point

653 °F (decomposes) (NTP, 1992);354 °C;345°C

Density

1.573 at 61 °F (NTP, 1992);1.573 at 14 °C;g/cm³

Solubility

less than 1 mg/mL at 72° F (NTP, 1992);0.03 M;Very slightly sol in hot alc; insol in ether;Sparingly sol in glycol, glycerol, pyridine; very slightly sol in ethanol; insol in benzene, carbon tetrachloride;In water, 3.23X10+3 mg/L at 20 °C;3.24 mg/mL at 20 °C;Solubility in water: poor

Color/Form

Monoclinic prisms;Monoclinic colorless prisms or crystals;White, monoclinic crystals

Complexity

63.3

Covalently-Bonded Unit Count

EC Number

203-615-4

Exact Mass

126.065394g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1154

Log P

-1.37 (LogP);log Kow = -1.37;-1.37;-1.14

MeSH Entry Terms

1,3,5-triazine-2,4,6-triamine;2,4,6-triamino-s-triazine;melamine;melamine bis(oxymethyl)phosphonic acid salt;melamine oxalate (1:1);melamine phosphate;melamine sulfate (1:1);melamine sulfate (1:2);melamine sulfate (2:1), dihydrate;melamine sulfate (4:1), tetrahydrate;melamine sulfite (1:1);melamine sulfite (2:1), dihydrate;melamine sulfite (2:1), tetrahydrate;melaminium acetate acetic acid solvate;melaminium citrate

Monoisotopic Mass

126.065394g/mol

NSC Number

8152;2130

Other Experimental

VP: 50 mm Hg at 315 °C;Heat of sublimation = -121 kJ/mol at 25 °C;Henry's Law constant = 1.84X10-14 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 6.6X10-13 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction: 1.872 at 20 degC/D

Rotatable Bond Count

RTECS Number

OS0700000

UNII

N3GP2YSD88

Vapor Density

4.34 (NTP, 1992) (Relative to Air);4.34 (Air= 1)

Vapor Pressure

50 mm Hg at 599 °F (NTP, 1992);3.59e-10 mmHg;3.59X10-10 mm Hg at 20 °C (extrapolated);Vapor pressure, Pa at 20 °C: 6.7

XLogP3