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140214-77-3 | 1-Butanol, 2-[(4-phenyl-1-phthalazinyl)amino]-
CAS No: 140214-77-3 Catalog No: AG001C5R MDL No:
Product Description
Catalog Number:
AG001C5R
Chemical Name:
1-Butanol, 2-[(4-phenyl-1-phthalazinyl)amino]-
CAS Number:
140214-77-3
Molecular Formula:
C18H19N3O
Molecular Weight:
293.3630
IUPAC Name:
2-[(4-phenylphthalazin-1-yl)amino]butan-1-ol
InChI:
InChI=1S/C18H19N3O/c1-2-14(12-22)19-18-16-11-7-6-10-15(16)17(20-21-18)13-8-4-3-5-9-13/h3-11,14,22H,2,12H2,1H3,(H,19,21)
InChI Key:
ZSZYNPZYPSNALP-UHFFFAOYSA-N
SMILES:
CCC(Nc1nnc(c2c1cccc2)c1ccccc1)CO
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.37g/mol
Monoisotopic Mass:
293.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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