Cyromazine-d4

CAT: 0024-sc-391577Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-391577Size:1 mg

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CAS Number

1219804-19-9

Chemical Information

2-N-(2,2,3,3-Tetradeuteriocyclopropyl)-1,3,5-triazine-2,4,6-triamine

See also: Cyromazine (annotation moved to).

CAS Number	1219804-19-9
PubChem CID	71315143
IUPAC Name	2-N-(2,2,3,3-tetradeuteriocyclopropyl)-1,3,5-triazine-2,4,6-triamine
Molecular Formula	C6H10N6
Molecular Weight	170.21
XLogP	-0.2
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	148

SMILES

[2H]C1(C(C1([2H])[2H])NC2=NC(=NC(=N2)N)N)[2H]

InChI

InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)/i1D2,2D2

InChIKey

LVQDKIWDGQRHTE-LNLMKGTHSA-N

Chemical Structure

2D Structure

CAS: 1219804-19-9

CID: 71315143

Formula: C6H10N6

MW: 170.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.21
XLogP3	-0.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	170.12180133
Monoisotopic Mass	170.12180133
Topological Polar Surface Area	103 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148
Isotope Atom Count	4
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-204704	Cyromazine
sc-204704A	Cyromazine
sc-300814	Hydroquinone-d4 (ring-d4)
sc-506150	Triclocarban-d4 (4-chlorophenyl-d4)
sc-280875	Keto Pioglitazone-d4 (M-III-d4)
sc-477791A	β-NADH-d4 (d4 major) Diammonium Salt
sc-477791	β-NADH-d4 (d4 major) Diammonium Salt
sc-219955	Rebamipide-d4
sc-480139	Apricoxib-d4
sc-473195	Tariquidar-d4