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144397-82-0 | 1,4,8,11-Tetraazacyclotetradecane, 1-[2-(3-thienyl)ethyl]-
CAS No: 144397-82-0 Catalog No: AG001JGC MDL No:
Product Description
Catalog Number:
AG001JGC
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane, 1-[2-(3-thienyl)ethyl]-
CAS Number:
144397-82-0
Molecular Formula:
C16H30N4S
Molecular Weight:
310.5012
IUPAC Name:
1-(2-thiophen-3-ylethyl)-1,4,8,11-tetrazacyclotetradecane
InChI:
InChI=1S/C16H30N4S/c1-5-17-8-9-18-7-2-11-20(13-10-19-6-1)12-3-16-4-14-21-15-16/h4,14-15,17-19H,1-3,5-13H2
InChI Key:
OVKFLWPFAYFDJY-UHFFFAOYSA-N
SMILES:
C1CNCCN(CCCNCCNC1)CCc1ccsc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.219g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.504g/mol
Monoisotopic Mass:
310.219g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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