| Formula |
C19H21ClN6O |
| IUPAC Name |
4-amino-n-[(4-chlorophenyl)methyl]-1-pyrrolo[2,3-d]pyrimidin-7-ium-3-id-4-yl-piperidine-4-carboxamide |
| Molecular Mass |
384.863 g·mol−1 |
| Heat of Formation |
119.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.99 ± 1.08 D |
| Volume |
441.08 Å 3 |
| Surface Area |
389.13 Å 2 |
| HOMO Energy |
-8.63 ± 0.55 eV |
| LUMO Energy |
-0.58 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-amino-n-(4-chlorobenzyl)-1-(7h-pyrrolo[3,2-e]pyrimidin-4-yl)isonipecotamide
- 4-amino-n-[(4-chlorophenyl)methyl]-1-(7h-pyrrolo[3,2-e]pyrimidin-4-yl)-4-piperidinecarboxamide
|
| InChIKey |
XQPFDQVEBGYLHB-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
Cl
O
N
|
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