| CAS Number: 1094346-14-1 ethyl 6-amino-2-methylnicotinate |
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| General Information | ||||||
| Product Number: 1094346141
CAS Registry Number: 1094346-14-1
Name:
3-Pyridinecarboxylic acid, 6-amino-2-methyl-, ethyl ester
Chemical Formula: C9H12N2O2
Exact Mass: 180.09
Molecular Weight: 180.20
m/z: 180.09 (100.0%), 181.09 (10.5%)
Elemental Analysis: C, 59.99; H, 6.71; N, 15.55; O, 17.76
InChI: InChI=1S/C23H22N2O5/c1-12-9-16-20(22(26)19(12)23(27)28-2)21(25-15-6-4-3-5-14(15)24-16)13-7-8-17-18(10-13)30-11-29-17/h3-8,10,12,19,21,24-25H,9,11H2,1-2H3/t12-,19+,21+/m0/s1
InChIKey: PTSGEBKUSHICCU-VYAXVDJTSA-N
Canonical SMILES : CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)C1C(=O)OC
Isomeric SMILES: C[C@H]1CC2=C([C@H](NC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)[C@@H]1C(=O)OC
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2013), WO 2013052394 A1 20130411. PCT Int. Appl. (2011), WO 2011136292 A1 20111103. |
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