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13707-90-9 | 2-Propanol, 1-[(1-methylethyl)amino]-3-[4-(2-propen-1-yl)phenoxy]-
CAS No: 13707-90-9 Catalog No: AG0012T2 MDL No:
Product Description
Catalog Number:
AG0012T2
Chemical Name:
2-Propanol, 1-[(1-methylethyl)amino]-3-[4-(2-propen-1-yl)phenoxy]-
CAS Number:
13707-90-9
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
1-(propan-2-ylamino)-3-(4-prop-2-enylphenoxy)propan-2-ol
InChI:
InChI=1S/C15H23NO2/c1-4-5-13-6-8-15(9-7-13)18-11-14(17)10-16-12(2)3/h4,6-9,12,14,16-17H,1,5,10-11H2,2-3H3
InChI Key:
PDUAYNIDLQOSGX-UHFFFAOYSA-N
SMILES:
C=CCc1ccc(cc1)OCC(CNC(C)C)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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