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102770-89-8 | 2-Propanol, 1-[2-[2-[4-(dimethylamino)phenyl]ethynyl]phenoxy]-3-[(1,1-dimethylethyl)amino]-
CAS No: 102770-89-8 Catalog No: AG0008CP MDL No:
Product Description
Catalog Number:
AG0008CP
Chemical Name:
2-Propanol, 1-[2-[2-[4-(dimethylamino)phenyl]ethynyl]phenoxy]-3-[(1,1-dimethylethyl)amino]-
CAS Number:
102770-89-8
Molecular Formula:
C23H30N2O2
Molecular Weight:
366.4965
IUPAC Name:
1-(tert-butylamino)-3-[2-[2-[4-(dimethylamino)phenyl]ethynyl]phenoxy]propan-2-ol
InChI:
InChI=1S/C23H30N2O2/c1-23(2,3)24-16-21(26)17-27-22-9-7-6-8-19(22)13-10-18-11-14-20(15-12-18)25(4)5/h6-9,11-12,14-15,21,24,26H,16-17H2,1-5H3
InChI Key:
MWASBJAIQBHBFC-UHFFFAOYSA-N
SMILES:
OC(COc1ccccc1C#Cc1ccc(cc1)N(C)C)CNC(C)(C)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.231g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.505g/mol
Monoisotopic Mass:
366.231g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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