9H-Purine-9-Acetic Acid, 6-[(P-Chlorophenyl)Amino)-, Ethyl Ester
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Product Description
Product
9H-Purine-9-Acetic Acid, 6-[(P-Chlorophenyl)Amino)-, Ethyl Ester
CAS
101103-22-4
Formula
C15H14ClN5O2
Synonym
9H-Purine-9-acetic acid, 6-[(p-chlorophenyl)amino)-, ethyl ester; Ethyl 9-[6-p-chloroanilino]purineacetate
Typical Product Specifications
Molecular weight
331.76
InChI
1S/C15H14ClN5O2/c1-2-23-12(22)7-21-9-19-13-14(17-8-18-15(13)21)20-11-5-3-10(16)4-6-11/h3-6,8-9H,2,7H2,1H3,(H,17,18,20)
InChIKey
GRZHGZVUENNXNQ-UHFFFAOYSA-N
Molecular weight
275.52
EINECS
202-910-5
SMILES
c1(Nc2c(cccc2)Cl)nc(nc(n1)Cl)Cl
InChI
1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
InChIKey
IMHBYKMAHXWHRP-UHFFFAOYSA-N
log P (octanol-water)
3.88
Water solubility
8 mg/L
Atmospheric OH Rate Constant
4.28E-11 cm3/molecule-sec
Vapor Pressure
6.20E-09 mm Hg
Henry's Law Constant
2.81E-10 atm-m3/mole
Melting Point
160 ° C
Class
9H-Purine-9-Acetic Acid, 6-[(P-Chlorophenyl)Amino)-, Ethyl Ester
Product Description
Product
9H-Purine-9-Acetic Acid, 6-[(P-Chlorophenyl)Amino)-, Ethyl Ester
CAS
101103-22-4
Formula
C15H14ClN5O2
Synonym
9H-Purine-9-acetic acid, 6-[(p-chlorophenyl)amino)-, ethyl ester; Ethyl 9-[6-p-chloroanilino]purineacetate
Typical Product Specifications
Molecular weight
331.76
InChI
1S/C15H14ClN5O2/c1-2-23-12(22)7-21-9-19-13-14(17-8-18-15(13)21)20-11-5-3-10(16)4-6-11/h3-6,8-9H,2,7H2,1H3,(H,17,18,20)
InChIKey
GRZHGZVUENNXNQ-UHFFFAOYSA-N
Molecular weight
275.52
EINECS
202-910-5
SMILES
c1(Nc2c(cccc2)Cl)nc(nc(n1)Cl)Cl
InChI
1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
InChIKey
IMHBYKMAHXWHRP-UHFFFAOYSA-N
log P (octanol-water)
3.88
Water solubility
8 mg/L
Atmospheric OH Rate Constant
4.28E-11 cm3/molecule-sec
Vapor Pressure
6.20E-09 mm Hg
Henry's Law Constant
2.81E-10 atm-m3/mole
Melting Point
160 ° C
Class
