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560088-79-1 | Dicyclohexylamine 2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oate
CAS No: 560088-79-1 Catalog No: AG003OFO MDL No:MFCD06796877
Product Description
Catalog Number:
AG003OFO
Chemical Name:
Dicyclohexylamine 2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-oate
CAS Number:
560088-79-1
Molecular Formula:
C23H44N2O6
Molecular Weight:
444.6053
MDL Number:
MFCD06796877
IUPAC Name:
N-cyclohexylcyclohexanamine;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
InChI:
InChI=1S/C12H23N.C11H21NO6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-11(2,3)18-10(15)12-4-5-16-6-7-17-8-9(13)14/h11-13H,1-10H2;4-8H2,1-3H3,(H,12,15)(H,13,14)
InChI Key:
SWUXEYKTUQROOO-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.OC(=O)COCCOCCNC(=O)OC(C)(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.32g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
444.613g/mol
Monoisotopic Mass:
444.32g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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