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89721-21-1 | Isoquinoline, 3-[2-(1-aziridinyl)ethoxy]-1-phenyl-
CAS No: 89721-21-1 Catalog No: AG0042AZ MDL No:
Product Description
Catalog Number:
AG0042AZ
Chemical Name:
Isoquinoline, 3-[2-(1-aziridinyl)ethoxy]-1-phenyl-
CAS Number:
89721-21-1
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
IUPAC Name:
3-[2-(aziridin-1-yl)ethoxy]-1-phenylisoquinoline
InChI:
InChI=1S/C19H18N2O/c1-2-6-15(7-3-1)19-17-9-5-4-8-16(17)14-18(20-19)22-13-12-21-10-11-21/h1-9,14H,10-13H2
InChI Key:
AAIVOXJQQVOPDG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nc(OCCN2CC2)cc2c1cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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