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188686-55-7 | 1,4,8,11-Tetraazacyclotetradecane-2,10-dione
CAS No: 188686-55-7 Catalog No: AG002H50 MDL No:
Product Description
Catalog Number:
AG002H50
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane-2,10-dione
CAS Number:
188686-55-7
Molecular Formula:
C10H20N4O2
Molecular Weight:
228.2914
IUPAC Name:
1,4,8,11-tetrazacyclotetradecane-2,10-dione
InChI:
InChI=1S/C10H20N4O2/c15-9-7-11-3-1-4-12-8-10(16)14-6-2-5-13-9/h11-12H,1-8H2,(H,13,15)(H,14,16)
InChI Key:
DLVUYESUZNSZGG-UHFFFAOYSA-N
SMILES:
O=C1CNCCCNCC(=O)NCCCN1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.159g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
228.296g/mol
Monoisotopic Mass:
228.159g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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