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Home > Other Building Blocks > 81531-58-0
81531-58-0 | 105118-14-7
CAS No: 81531-58-0 Catalog No: AG005K7I MDL No:
Product Description
Catalog Number:
AG005K7I
Chemical Name:
105118-14-7
CAS Number:
81531-58-0
Molecular Formula:
C25H31N3O3
Molecular Weight:
421.5319
IUPAC Name:
2-[2-(diethylamino)ethyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol;acetate
InChI:
InChI=1S/C23H27N3O.C2H4O2/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23;1-2(3)4/h7-10,13-14,27H,5-6,11-12H2,1-4H3;1H3,(H,3,4)
InChI Key:
WHMNPIDOCVCZKA-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C.CCN(CC[n+]1ccc2c(c1)c(C)c1c(c2C)[nH]c2c1cc(O)cc2)CC
EC Number:
279-779-6
NSC Number:
311152
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.237g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
421.541g/mol
Monoisotopic Mass:
421.237g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| The date palm (Phoenix dactylifera L.) micropropagation using completely mature female flowers. | Comptes rendus biologies 20120301 |
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