TOTU

CAT: 1489-T2410-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:1489-T2410-02Size:25 g

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

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CAS Number

136849-72-4

Purity

0.95

Chemical Information

O-(Cyano(ethoxycarbonyl)methylenamino)-1,1,3,3-tetramethylur onium Tetrafluoroborat

CAS Number	136849-72-4
PubChem CID	6508711
IUPAC Name	[[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate
Molecular Formula	C10H17BF4N4O3
Molecular Weight	328.07
Topological Polar Surface Area	77.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	392

SMILES

[B-](F)(F)(F)F.CCOC(=O)/C(=N\OC(=[N+](C)C)N(C)C)/C#N

InChI

InChI=1S/C10H17N4O3.BF4/c1-6-16-9(15)8(7-11)12-17-10(13(2)3)14(4)5;2-1(3,4)5/h6H2,1-5H3;/q+1;-1/b12-8-;

InChIKey

FPQVGDGSRVMNMR-JCTPKUEWSA-N

Chemical Structure

2D Structure

CAS: 136849-72-4

CID: 6508711

Formula: C10H17BF4N4O3

MW: 328.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.07
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	328.1329832
Monoisotopic Mass	328.1329832
Topological Polar Surface Area	77.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	392
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-253713	TOTU
95595-01	TOTU extrapure, 99%