200,000+ products from a single source!
sales@angenechem.com
116870-77-0 | 1H-Isoindol-1-one, 3-(2-aminophenyl)-2,3-dihydro-2-[2-[(1-methylethyl)amino]ethyl]-, (2E)-2-butenedioate (1:1)
CAS No: 116870-77-0 Catalog No: AG000DC7 MDL No:
Product Description
Catalog Number:
AG000DC7
Chemical Name:
1H-Isoindol-1-one, 3-(2-aminophenyl)-2,3-dihydro-2-[2-[(1-methylethyl)amino]ethyl]-, (2E)-2-butenedioate (1:1)
CAS Number:
116870-77-0
Molecular Formula:
C23H27N3O5
Molecular Weight:
425.4776
IUPAC Name:
3-(2-aminophenyl)-2-[2-(propan-2-ylamino)ethyl]-3H-isoindol-1-one;but-2-enedioic acid
InChI:
InChI=1S/C19H23N3O.C4H4O4/c1-13(2)21-11-12-22-18(16-9-5-6-10-17(16)20)14-7-3-4-8-15(14)19(22)23;5-3(6)1-2-4(7)8/h3-10,13,18,21H,11-12,20H2,1-2H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
DYMPRWUUVNVANE-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/C(=O)O.CC(NCCN1C(=O)c2c(C1c1ccccc1N)cccc2)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.195g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
425.485g/mol
Monoisotopic Mass:
425.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.