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138099-09-9 | 1,4,8,11-Tetraazacyclotetradecane, 1,4,8,11-tetrakis(1-oxopropyl)- (9CI)
CAS No: 138099-09-9 Catalog No: AG0017Z0 MDL No:
Product Description
Catalog Number:
AG0017Z0
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane, 1,4,8,11-tetrakis(1-oxopropyl)- (9CI)
CAS Number:
138099-09-9
Molecular Formula:
C22H40N4O4
Molecular Weight:
424.5774
IUPAC Name:
1-[4,8,11-tri(propanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propan-1-one
InChI:
InChI=1S/C22H40N4O4/c1-5-19(27)23-11-9-12-25(21(29)7-3)17-18-26(22(30)8-4)14-10-13-24(16-15-23)20(28)6-2/h5-18H2,1-4H3
InChI Key:
RZYRPLPEEKMTTN-UHFFFAOYSA-N
SMILES:
CCC(=O)N1CCCN(CCN(CCCN(CC1)C(=O)CC)C(=O)CC)C(=O)CC
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.305g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.586g/mol
Monoisotopic Mass:
424.305g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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