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Diaveridine Hydrochloride

CAT: 0572-TRC-D120135-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D120135-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2507-23-5
Synonyms
5-[(3,4-Dimethoxybenzyl)pyrimidine-2,4-diamine Hydrochloride
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Cl.COc1ccc(Cc2cnc(N)nc2N)cc1OC
Molecular Formula
C13H16N4O2 . HCl
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-(3,4-Dimethoxybenzyl)pyrimidine-2,4-diamine hydrochloride
CAS Number2507-23-5
PubChem CID12254402
IUPAC Name5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;hydrochloride
Molecular FormulaC13H17ClN4O2
Molecular Weight296.75
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity279
SMILES
COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC.Cl
InChI
InChI=1S/C13H16N4O2.ClH/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14;/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17);1H
InChIKey
VHEINFIJUXABAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3,4-Dimethoxybenzyl)pyrimidine-2,4-diamine hydrochloride
CAS: 2507-23-5
CID: 12254402
Formula: C13H17ClN4O2
MW: 296.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.75
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass296.1040035
Monoisotopic Mass296.1040035
Topological Polar Surface Area96.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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