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2507-23-5 | 2,4-Pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-, hydrochloride (1:1)
CAS No: 2507-23-5 Catalog No: AG002QDR MDL No:MFCD07773087
Product Description
Catalog Number:
AG002QDR
Chemical Name:
2,4-Pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-, hydrochloride (1:1)
CAS Number:
2507-23-5
Molecular Formula:
C13H17ClN4O2
Molecular Weight:
296.7527
MDL Number:
MFCD07773087
IUPAC Name:
5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;hydrochloride
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
InChI Key:
VHEINFIJUXABAP-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)Cc1cnc(nc1N)N.Cl
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.104g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
296.755g/mol
Monoisotopic Mass:
296.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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