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85665-62-9 | Carbamic acid,[[1,3,3-trimethyl-5-[[(oxiranylmethoxy)carbonyl]amino]cyclohexyl]methyl]-,oxiranylmethyl ester (9CI)
CAS No: 85665-62-9 Catalog No: AG0050K8 MDL No:
Product Description
Catalog Number:
AG0050K8
Chemical Name:
Carbamic acid,[[1,3,3-trimethyl-5-[[(oxiranylmethoxy)carbonyl]amino]cyclohexyl]methyl]-,oxiranylmethyl ester (9CI)
CAS Number:
85665-62-9
Molecular Formula:
C18H30N2O6
Molecular Weight:
370.4406
IUPAC Name:
oxiran-2-ylmethyl N-[[1,3,3-trimethyl-5-(oxiran-2-ylmethoxycarbonylamino)cyclohexyl]methyl]carbamate
InChI:
InChI=1S/C18H30N2O6/c1-17(2)4-12(20-16(22)26-9-14-7-24-14)5-18(3,10-17)11-19-15(21)25-8-13-6-23-13/h12-14H,4-11H2,1-3H3,(H,19,21)(H,20,22)
InChI Key:
USUOJGZXTMKLFM-UHFFFAOYSA-N
SMILES:
O=C(NCC1(C)CC(NC(=O)OCC2OC2)CC(C1)(C)C)OCC1OC1
EC Number:
288-152-6
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.21g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.446g/mol
Monoisotopic Mass:
370.21g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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