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Desalkylterbuthylazine

CAT: 0127-BUP15355-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15355-01Size:5 mg
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CAS Number
3397-62-4
Purity
=95%
Smiles
Nc1nc(N)nc(Cl)n1

Chemical Information

1,3,5-Triazine-2,4-diamine, 6-chloro-

2,4‑diamino‑6‑chloro-s-triazine (DACT) can cause developmental toxicity and female reproductive toxicity according to The Environmental Protection Agency (EPA).

CAS Number3397-62-4
PubChem CID18831
IUPAC Name6-chloro-1,3,5-triazine-2,4-diamine
Molecular FormulaC3H4ClN5
Molecular Weight145.55
XLogP-0.1
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity88
SMILES
C1(=NC(=NC(=N1)Cl)N)N
InChI
InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)
InChIKey
FVFVNNKYKYZTJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,5-Triazine-2,4-diamine, 6-chloro-
CAS: 3397-62-4
CID: 18831
Formula: C3H4ClN5
MW: 145.55
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.55
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass145.0155228
Monoisotopic Mass145.0155228
Topological Polar Surface Area90.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity88.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T0604-01Desalkylterbuthylazine

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