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169128-47-6 | Carbamic acid, dimethyl-, 2-(1-piperidinylmethyl)-3-pyridinyl ester, ethanedioate (1:1) (9CI)
CAS No: 169128-47-6 Catalog No: AG001YII MDL No:
Product Description
Catalog Number:
AG001YII
Chemical Name:
Carbamic acid, dimethyl-, 2-(1-piperidinylmethyl)-3-pyridinyl ester, ethanedioate (1:1) (9CI)
CAS Number:
169128-47-6
Molecular Formula:
C16H23N3O6
Molecular Weight:
353.3703
IUPAC Name:
oxalic acid;[2-(piperidin-1-ylmethyl)pyridin-3-yl] N,N-dimethylcarbamate
InChI:
InChI=1S/C14H21N3O2.C2H2O4/c1-16(2)14(18)19-13-7-6-8-15-12(13)11-17-9-4-3-5-10-17;3-1(4)2(5)6/h6-8H,3-5,9-11H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
QGTFKJYEKRWNIV-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Oc1cccnc1CN1CCCCC1.OC(=O)C(=O)O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.159g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.375g/mol
Monoisotopic Mass:
353.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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