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76267-50-0 | 2-Propanol,1-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-3-[2-(2-propen-1-yl)phenoxy]-
CAS No: 76267-50-0 Catalog No: AG005EJ2 MDL No:
Product Description
Catalog Number:
AG005EJ2
Chemical Name:
2-Propanol,1-[[1-(4-amino-4-methylcyclohexyl)-1-methylethyl]amino]-3-[2-(2-propen-1-yl)phenoxy]-
CAS Number:
76267-50-0
Molecular Formula:
C22H36N2O2
Molecular Weight:
360.5334
IUPAC Name:
1-[2-(4-amino-4-methylcyclohexyl)propan-2-ylamino]-3-(2-prop-2-enylphenoxy)propan-2-ol
InChI:
InChI=1S/C22H36N2O2/c1-5-8-17-9-6-7-10-20(17)26-16-19(25)15-24-21(2,3)18-11-13-22(4,23)14-12-18/h5-7,9-10,18-19,24-25H,1,8,11-16,23H2,2-4H3
InChI Key:
UQRPMGPPOBZDCK-UHFFFAOYSA-N
SMILES:
C=CCc1ccccc1OCC(CNC(C1CCC(CC1)(C)N)(C)C)O
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.278g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
360.542g/mol
Monoisotopic Mass:
360.278g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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