Trichloromelamine

CAT: 0127-OR1023556-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1023556-02Size:5 g

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CAS Number

7673-09-8

Synonyms

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

Purity

95%

Smiles

C1(=NC(=NC(=N1)NCl)NCl)NCl

Chemical Information

Trichloromelamine

Trichloromelamine appears as white or off-white to yellow fine powder with a chlorine odor. pH of saturated aqueous solution: 4. (NTP, 1992)

CAS Number	7673-09-8
PubChem CID	24322
IUPAC Name	2-N,4-N,6-N-trichloro-1,3,5-triazine-2,4,6-triamine
Molecular Formula	C3H3Cl3N6
Molecular Weight	229.45
XLogP	1.3
Topological Polar Surface Area	74.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	99

SMILES

C1(=NC(=NC(=N1)NCl)NCl)NCl

InChI

InChI=1S/C3H3Cl3N6/c4-10-1-7-2(11-5)9-3(8-1)12-6/h(H3,7,8,9,10,11,12)

InChIKey

KEPNSIARSTUPGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7673-09-8

CID: 24322

Formula: C3H3Cl3N6

MW: 229.45

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.45
XLogP3	1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	227.948477
Monoisotopic Mass	227.948477
Topological Polar Surface Area	74.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	99.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-475198	Trichloromelamine
T19825	Trichloromelamine 91%