| Formula |
C18H20ClN5 |
| IUPAC Name |
[4-(4-chlorophenyl)-1-pyrrolo[2,3-d]pyrimidin-7-ium-3-id-4-yl-4-piperidyl]methanamine |
| Molecular Mass |
341.838 g·mol−1 |
| Heat of Formation |
272.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.14 ± 1.08 D |
| Volume |
398.86 Å 3 |
| Surface Area |
333.93 Å 2 |
| HOMO Energy |
-8.66 ± 0.55 eV |
| LUMO Energy |
2.59 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- [4-(4-chlorophenyl)-1-(7h-pyrrolo[3,2-e]pyrimidin-4-yl)-4-piperidinyl]methanamine
- [4-(4-chlorophenyl)-1-(7h-pyrrolo[3,2-e]pyrimidin-4-yl)-4-piperidyl]methanamine
- [4-(4-chlorophenyl)-1-(7h-pyrrolo[3,2-e]pyrimidin-4-yl)-4-piperidyl]methylamine
|
| InChIKey |
QOZMRRGNAZNWDN-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
Cl
N
|
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