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MX 601

CAS: 37640-57-6 | C6H9N9O3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 37640-57-6
Molecular Formula: C6H9N9O3
Molecular Weight: 255.19800000000004 g/mol

Names and Synonyms:

MX 601
DHF 100
MX
Melamine isocyanurate
Melamine Cyanurate
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, compd. with 1,3,5-triazine-2,4,6-triamine (1:1)
FT 6120MC15
MCA 55
Nonfla MC 600
MCA 55 (cyanurate)
MCA 300
Stabiace MC 3S
XS-MC 1
Phoslite B 65AM
MC 20S
Melapur MC 15ED
MCA 210
MC 602
MC 3000
Rilsan MB 3000
HT 211
MCA 19
FR 106
MP
Haida FR 106
SunFla MC 100
XS-MC 15
MCA 10
Melapur 25
MCA 510
JLS-MC 25
XS-MC 151
JLS-MCA
MCA 301
MC 12
JSL-MC 15
Mastertek 374115
MCA 152
FCC-MC 03
Aflammit PMN 525
MCA 410
MCA 151
1,3,5-Triazine-2,4,6-triamine, compd. with 1,3,5-triazine-2,4,6(1H,3H,5H)-trione (1:1)
Melamine cyanurate
Melamine cyanurate (1:1)
Melamine-isocyanuric acid compd.
Melamine-cyanuric acid compd.
D 022
Mitec MX 601
MCA
MC 101 (cyanurate)
MC 101
MC 600
Fyrol MC
MC White
MC 610
MC 490
MX 44
MC 410
MC 690
Plastisan B
Melapur MC 25
MC 25
MC 50
C 1
MC 1
MC 1 (cyanurate)
Budit 315
Melapur MC
MC 640
MCA-CO
Melapur MC 50
MCA-C 1
MCA-COP
Budit 314
NSC 231587
Melapur MC 15
MC 15
FR 6120
MC 810
MC 810 (fireproofing agent)
Melamine isocyanurate (1:1)
NC 600
MC-C 0
Melapur 50
Melagard MC 25
Nord-Min MC 25J
MC 6000
MCA-C 0
MC 4000
JLS-MC 810D
MC 5F
Stabiace MC 5S
Flameproof MC-M
MCA 15
Stabiace MC 5F
JLS-MC 810
Melagard MC 8
Budit 315E
MC 5S
Stabiace MC 2010N
MC 2010N
MC 4500
MCA 12
CG 610
MCA 25
MC 20SJ
MC 1100
CG 615
MCA 033
Exflam MCA
Melanic MC

Identifiers:

SMILES:
N=c1[nH]c(=N)[nH]c(=N)[nH]1.Oc1nc(O)nc(O)n1
InChI:
InChI=1S/C3H6N6.C3H3N3O3/c4-1-7-2(5)9-3(6)8-1;7-1-4-2(8)6-3(9)5-1/h(H6,4,5,6,7,8,9);(H3,4,5,6,7,8,9)

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

Physical Properties

Property Value Source
molecular_mass 255.20 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Melamine_cyanurate None Legacy Database
cas-canonical-smile O=C1NC(=O)NC(=O)N1.N=1C(=NC(=NC1N)N)N None Legacy Database
cas-inchi InChI=1S/C3H6N6.C3H3N3O3/c4-1-7-2(5)9-3(6)8-1;7-1-4-2(8)6-3(9)5-1/h(H6,4,5,6,7,8,9);(H3,4,5,6,7,8,9) None Legacy Database
cas-inchi-key InChIKey=ZQKXQUJXLSSJCH-UHFFFAOYSA-N None Legacy Database
cas-name Melamine cyanurate None Legacy Database
wikipedia-name Melamine cyanurate None Legacy Database
LogP -2.9022900000000007 RDKit

Molecular

Property Value Source
Molecular Weight 255.19800000000004 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 255.082835148 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 18 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 9 count RDKit
Hydrogen Bond Donors 9 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 2 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 218.27999999999997 Ų RDKit

Molar

Property Value Source
Molar Refractivity 51.879599999999996 RDKit

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