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95701-58-9 | Di(pyridin-3-yl) hexane-1,6-diylbis(methylcarbamate)
CAS No: 95701-58-9 Catalog No: AG01EDGP MDL No:
Product Description
Catalog Number:
AG01EDGP
Chemical Name:
Di(pyridin-3-yl) hexane-1,6-diylbis(methylcarbamate)
CAS Number:
95701-58-9
Molecular Formula:
C20H26N4O4
Molecular Weight:
386.4448
IUPAC Name:
pyridin-3-yl N-methyl-N-[6-[methyl(pyridin-3-yloxycarbonyl)amino]hexyl]carbamate
InChI:
InChI=1S/C20H26N4O4/c1-23(19(25)27-17-9-7-11-21-15-17)13-5-3-4-6-14-24(2)20(26)28-18-10-8-12-22-16-18/h7-12,15-16H,3-6,13-14H2,1-2H3
InChI Key:
YCEBUCSHXWRUJW-UHFFFAOYSA-N
SMILES:
O=C(N(CCCCCCN(C(=O)Oc1cccnc1)C)C)Oc1cccnc1
EC Number:
619-158-2
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.195g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.452g/mol
Monoisotopic Mass:
386.195g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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