Formula |
C16H16N2O2 |
IUPAC Name |
butyl pyrido[3,4-b]indol-9-ium-3-carboxylate |
Molecular Mass |
268.310 g·mol−1 |
Heat of Formation |
-124.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.14 ± 1.08 D |
Volume |
321.5 Å 3 |
Surface Area |
307.77 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
2.15 ± eV |
Point Group Symmetry |
Cs
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Synonyms
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- 9h-$b-carboline-3-carboxylic acid butyl ester
- 9h-pyrido(3,4-b)indole-3-carboxylic acid, butyl ester
- 9h-pyrido[5,4-b]indole-3-carboxylic acid butyl ester
- beta-ccb
- biomol-nt_000274
- bpbio1_001057
- butyl 9h-beta-carboline-3-carboxylate
- butyl 9h-pyrido[5,4-b]indole-3-carboxylate
- n-butyl beta-carboline-3-carboxylate
- n-butyl-beta-carboline-3-carboxylate
- nbbcc
- tocris-0405
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CAS Number(s) |
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InChIKey |
WGNGIELOOKACSB-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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