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115464-63-6 | 6H-Pyrido[4,3-b]carbazol-1-amine, N-ethyl-9-methoxy-5,11-dimethyl-, (2Z)-2-butenedioate (1:1)
CAS No: 115464-63-6 Catalog No: AG000G18 MDL No:
Product Description
Catalog Number:
AG000G18
Chemical Name:
6H-Pyrido[4,3-b]carbazol-1-amine, N-ethyl-9-methoxy-5,11-dimethyl-, (2Z)-2-butenedioate (1:1)
CAS Number:
115464-63-6
Molecular Formula:
C24H25N3O5
Molecular Weight:
435.4724
IUPAC Name:
but-2-enedioic acid;N-ethyl-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
InChI:
InChI=1S/C20H21N3O.C4H4O4/c1-5-21-20-18-12(3)17-15-10-13(24-4)6-7-16(15)23-19(17)11(2)14(18)8-9-22-20;5-3(6)1-2-4(7)8/h6-10,23H,5H2,1-4H3,(H,21,22);1-2H,(H,5,6)(H,7,8)
InChI Key:
NQCQYNRFZLZJMK-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)O.CCNc1nccc2c1c(C)c1c(c2C)[nH]c2c1cc(OC)cc2
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.179g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
435.48g/mol
Monoisotopic Mass:
435.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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