DMT-TU

CAT: 0127-PC1026263-03Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC1026263-03Size:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

3066216-67-6

Purity

98%

Smiles

COC1=NC (O/C (N (C) C) =[N+] (C) /C) =NC (OC) =N1.F[P-] (F) (F) (F) (F) F

Chemical Information

Dmt-TU

CAS Number	3066216-67-6
PubChem CID	177929850
IUPAC Name	[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy-(dimethylamino)methylidene]-dimethylazanium hexafluorophosphate
Molecular Formula	C10H18F6N5O3P
Molecular Weight	401.25
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	331

SMILES

CN(C)C(=[N+](C)C)OC1=NC(=NC(=N1)OC)OC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C10H18N5O3.F6P/c1-14(2)10(15(3)4)18-9-12-7(16-5)11-8(13-9)17-6;1-7(2,3,4,5)6/h1-6H3;/q+1;-1

InChIKey

SOIVAMGPWUBKJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3066216-67-6

CID: 177929850

Formula: C10H18F6N5O3P

MW: 401.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	401.25
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	5
Exact Mass	401.10514542
Monoisotopic Mass	401.10514542
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	331
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	2
Compound Is Canonicalized	Yes

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