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138135-48-5 | 3-Ethyl 5-methyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS No: 138135-48-5 Catalog No: AG003Q8U MDL No:MFCD20491402
Product Description
Catalog Number:
AG003Q8U
Chemical Name:
3-Ethyl 5-methyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number:
138135-48-5
Molecular Formula:
C18H22N2O4
Molecular Weight:
330.3783
MDL Number:
MFCD20491402
IUPAC Name:
5-O-ethyl 3-O-methyl 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C18H22N2O4/c1-5-24-18(22)15-11(3)20-10(2)14(17(21)23-4)16(15)12-7-6-8-13(19)9-12/h6-9,16,20H,5,19H2,1-4H3
InChI Key:
MHIDUZTVAKDYMR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)N)C(=O)OC)C
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.384g/mol
Monoisotopic Mass:
330.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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