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169128-33-0 | Carbamic acid, dimethyl-, 2-[(methylpentylamino)methyl]-3-pyridinyl ester, ethanedioate (1:1) (9CI)
CAS No: 169128-33-0 Catalog No: AG001YHH MDL No:
Product Description
Catalog Number:
AG001YHH
Chemical Name:
Carbamic acid, dimethyl-, 2-[(methylpentylamino)methyl]-3-pyridinyl ester, ethanedioate (1:1) (9CI)
CAS Number:
169128-33-0
Molecular Formula:
C17H27N3O6
Molecular Weight:
369.4128
IUPAC Name:
[2-[[methyl(pentyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate;oxalic acid
InChI:
InChI=1S/C15H25N3O2.C2H2O4/c1-5-6-7-11-18(4)12-13-14(9-8-10-16-13)20-15(19)17(2)3;3-1(4)2(5)6/h8-10H,5-7,11-12H2,1-4H3;(H,3,4)(H,5,6)
InChI Key:
SNTIYQGNSZDYLD-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCCCCN(Cc1ncccc1OC(=O)N(C)C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.19g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.418g/mol
Monoisotopic Mass:
369.19g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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