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117499-16-8 | 10-Oxa-2,5,8-triazadodecanoic acid, 11,11-dimethyl-9-oxo-, 1,1-dimethylethyl ester
CAS No: 117499-16-8 Catalog No: AG000ED9 MDL No:MFCD11226825
Product Description
Catalog Number:
AG000ED9
Chemical Name:
10-Oxa-2,5,8-triazadodecanoic acid, 11,11-dimethyl-9-oxo-, 1,1-dimethylethyl ester
CAS Number:
117499-16-8
Molecular Formula:
C14H29N3O4
Molecular Weight:
303.3978
MDL Number:
MFCD11226825
IUPAC Name:
tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]ethyl]carbamate
InChI:
InChI=1S/C14H29N3O4/c1-13(2,3)20-11(18)16-9-7-15-8-10-17-12(19)21-14(4,5)6/h15H,7-10H2,1-6H3,(H,16,18)(H,17,19)
InChI Key:
KNORWRWRHNHJAV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCNCCNC(=O)OC(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.216g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.403g/mol
Monoisotopic Mass:
303.216g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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