| Formula |
C14H18N2O2S |
| IUPAC Name |
2-(diethylamino)ethyl 4-isothiocyanatobenzoate |
| Molecular Mass |
278.370 g·mol−1 |
| Heat of Formation |
-137.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.98 ± 1.08 D |
| Volume |
347.93 Å 3 |
| Surface Area |
329.56 Å 2 |
| HOMO Energy |
-8.99 ± 0.55 eV |
| LUMO Energy |
-1.52 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (3h)-prit
- 2-diethylaminoethyl 4-isothiocyanatobenzoate
- 4-isothiocyanatobenzoic acid 2-diethylaminoethyl ester
- benzoic acid, 4-isothiocyanato-, 2-(diethylamino)ethyl ester
- prit
- procaine isothiocyanate
|
| CAS Number(s) |
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| InChIKey |
OEWIYUQCPIHWHB-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
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