200,000+ products from a single source!
sales@angenechem.com
21131-13-5 | 1-Phthalazinecarboxylic acid, 3,4-dihydro-4-oxo-3-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS No: 21131-13-5 Catalog No: AG002L9M MDL No:
Product Description
Catalog Number:
AG002L9M
Chemical Name:
1-Phthalazinecarboxylic acid, 3,4-dihydro-4-oxo-3-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CAS Number:
21131-13-5
Molecular Formula:
C21H24ClN3O3
Molecular Weight:
401.8866
IUPAC Name:
2-(diethylamino)ethyl 4-oxo-3-phenylphthalazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C21H23N3O3.ClH/c1-3-23(4-2)14-15-27-21(26)19-17-12-8-9-13-18(17)20(25)24(22-19)16-10-6-5-7-11-16;/h5-13H,3-4,14-15H2,1-2H3;1H
InChI Key:
LGZRJGIWUUCCFL-UHFFFAOYSA-N
SMILES:
CCN(CCOC(=O)c1nn(c2ccccc2)c(=O)c2c1cccc2)CC.Cl
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.151g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.891g/mol
Monoisotopic Mass:
401.151g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.