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Home > Pyridines > 188575-09-9
188575-09-9 | 1,4,8,11-Tetraazacyclotetradecane-5,7-dione, 1-(2-pyridinylmethyl)-
CAS No: 188575-09-9 Catalog No: AG002GZG MDL No:
Product Description
Catalog Number:
AG002GZG
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane-5,7-dione, 1-(2-pyridinylmethyl)-
CAS Number:
188575-09-9
Molecular Formula:
C16H25N5O2
Molecular Weight:
319.4020
IUPAC Name:
1-(pyridin-2-ylmethyl)-1,4,8,11-tetrazacyclotetradecane-5,7-dione
InChI:
InChI=1S/C16H25N5O2/c22-15-12-16(23)20-9-11-21(10-3-5-17-7-8-19-15)13-14-4-1-2-6-18-14/h1-2,4,6,17H,3,5,7-13H2,(H,19,22)(H,20,23)
InChI Key:
OTXQSFGCGLKNFJ-UHFFFAOYSA-N
SMILES:
O=C1NCCN(CCCNCCNC(=O)C1)Cc1ccccn1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.201g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
319.409g/mol
Monoisotopic Mass:
319.201g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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