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115464-61-4 | 6H-Pyrido[4,3-b]carbazol-1-amine, 9-methoxy-5,11-dimethyl-, (2Z)-2-butenedioate (1:1)
CAS No: 115464-61-4 Catalog No: AG000G19 MDL No:
Product Description
Catalog Number:
AG000G19
Chemical Name:
6H-Pyrido[4,3-b]carbazol-1-amine, 9-methoxy-5,11-dimethyl-, (2Z)-2-butenedioate (1:1)
CAS Number:
115464-61-4
Molecular Formula:
C22H21N3O5
Molecular Weight:
407.4192
IUPAC Name:
but-2-enedioic acid;9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
InChI:
InChI=1S/C18H17N3O.C4H4O4/c1-9-12-6-7-20-18(19)16(12)10(2)15-13-8-11(22-3)4-5-14(13)21-17(9)15;5-3(6)1-2-4(7)8/h4-8,21H,1-3H3,(H2,19,20);1-2H,(H,5,6)(H,7,8)
InChI Key:
CGZNCZIWZURJOQ-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C\C(=O)O.COc1ccc2c(c1)c1c(C)c3c(N)nccc3c(c1[nH]2)C
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.148g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
407.426g/mol
Monoisotopic Mass:
407.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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