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89085-11-0 | 2-Propanol, 1-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-3-(hexylamino)-
CAS No: 89085-11-0 Catalog No: AG004086 MDL No:
Product Description
Catalog Number:
AG004086
Chemical Name:
2-Propanol, 1-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-3-(hexylamino)-
CAS Number:
89085-11-0
Molecular Formula:
C18H29NO4
Molecular Weight:
323.4272
IUPAC Name:
1-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-3-(hexylamino)propan-2-ol
InChI:
InChI=1S/C18H29NO4/c1-4-5-6-7-11-19-12-14(20)13-21-15-9-8-10-16-17(15)23-18(2,3)22-16/h8-10,14,19-20H,4-7,11-13H2,1-3H3
InChI Key:
REQBZWNVQNZXAJ-UHFFFAOYSA-N
SMILES:
CCCCCCNCC(COc1cccc2c1OC(O2)(C)C)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.21g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
323.433g/mol
Monoisotopic Mass:
323.21g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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