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Terbuthylazine-(ethyl-d5)

CAT: 0572-TRC-T110504-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T110504-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
222986-60-9
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])C([2H])([2H])Nc1nc(Cl)nc(NC(C)(C)C)n1
Molecular Formula
C9 2H5 H11 Cl N5
Molecular Weight
234.74
InChI
InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)/i1D3,5D2
Additionnal Information
IUPAC name: 2-N-tert-butyl-6-chloro-4-N-(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Terbuthylazine-(ethyl-d5)
CAS Number222986-60-9
PubChem CID102211220
IUPAC Name2-N-tert-butyl-6-chloro-4-N-(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
Molecular FormulaC9H16ClN5
Molecular Weight234.74
XLogP3.1
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity193
SMILES
[2H]C([2H])([2H])C([2H])([2H])NC1=NC(=NC(=N1)Cl)NC(C)(C)C
InChI
InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)/i1D3,5D2
InChIKey
FZXISNSWEXTPMF-RPIBLTHZSA-N
Chemical Structure
2D Structure
2D structure of Terbuthylazine-(ethyl-d5)
CAS: 222986-60-9
CID: 102211220
Formula: C9H16ClN5
MW: 234.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.74
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass234.1408070
Monoisotopic Mass234.1408070
Topological Polar Surface Area62.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity193
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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