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Melamine

CAS: 108-78-1 | C3H6N6

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 108-78-1
Molecular Formula: C3H6N6
Molecular Weight: 126.123 g/mol

Names and Synonyms:

Melamine
1,3,5-Triazine-2,4,6-triamine
Melamine
s-Triazine, 4,6-diamino-1,2-dihydro-2-imino-
Cyanuramide
Cyanurotriamide
Cyanurotriamine
2,4,6-Triamino-s-triazine
1,3,5-Triazine-2,4,6(1H,3H,5H)-triimine
Triaminotriazine
Isomelamine
2,4,6-Triaminotriazine
Teoharn
Theoharn
Virset 656-4
2,4,6-Triamino-1,3,5-triazine
s-Triazinetriamine
Pluragard C 133
Pluragard
Triamino-s-triazine
DG 002 (amine)
DG 002
ZS 27
ADK Stab ZS 27
Mark ZS 27
Yukamelamine
Spinflam ML 94M
2,4,6-Triamino-1,2,3-triazine
PC 1
NSC 2130
Flammex MEL
Mitsui 2020A
Melamine 2020A
Melafine
Mel F 40
Melamine HM
Micromel 325
T 518
H 882
PMN 500
M 2659
Relugan XD
SM 1013
D-ACE 557
GPH-LD
JLS Melamine
A 11295
Aflammit PMN 500
AF-PMN 500
MEL AR

Identifiers:

SMILES:
N=c1[nH]c(=N)[nH]c(=N)[nH]1
InChI:
InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 126.123 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 126.06539419199999 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 9 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 6 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 118.91999999999999 Ų RDKit

Physical Properties

Property Value Source
LogP -1.8906900000000002 RDKit
molecular_mass 126.12 g/mol Legacy Database
density 1.57 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Melamine None Legacy Database
cas-canonical-smile N=1C(=NC(=NC1N)N)N None Legacy Database
cas-density 1.573 g/cm3 @ Temp: 14 °C None Legacy Database
cas-inchi InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9) None Legacy Database
cas-inchi-key InChIKey=JDSHMPZPIAZGSV-UHFFFAOYSA-N None Legacy Database
cas-melting-point <250 °C None Legacy Database
cas-name Melamine None Legacy Database
wikipedia-name Melamine None Legacy Database

Molar

Property Value Source
Molar Refractivity 27.058200000000014 RDKit

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