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Cas Database |
| Name |
(+/-)-Octahydrocyclopenta[b]pyrrole-2-carboxylic acid hydrochloride |
EINECS | N/A |
| CAS No. | 93779-30-7 | Density | N/A |
| PSA | 49.33000 | LogP | 1.73240 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H13NO2.HCl | Boiling Point | 333.9 °C at 760 mmHg |
| Molecular Weight | 191.658 | Flash Point | 155.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cyclopenta[b]pyrrole-2-carboxylicacid, octahydro-, hydrochloride, (2a,3ab,6ab)- (9CI);Cyclopenta[b]pyrrole-2-carboxylic acid,octahydro-, hydrochloride, (2a,3ab,6ab)-(?à)-; |
Article Data | 4 |
(+/-)-Octahydrocyclopenta[b]pyrrole-2-carboxylic acid hydrochloride Specification
The (+/-)-Octahydrocyclopenta[b]pyrrole-2-carboxylic acid hydrochloride, with cas registry number 93779-30-7, has the systematic name of octahydrocyclopenta[b]pyrrole-2-carboxylic acid hydrochloride (1:1). And it is also called cyclopenta[b]pyrrole-2-carboxylic acid, octahydro-, hydrochloride (1:1).
Physical properties about this chemical are: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.54 ?Å2; (11)Enthalpy of Vaporization: 63.4 kJ/mol; (12)Vapour Pressure: 2.53E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C1NC2CCCC2C1
(2)InChI: InChI=1/C8H13NO2.ClH/c10-8(11)7-4-5-2-1-3-6(5)9-7;/h5-7,9H,1-4H2,(H,10,11);1H
(3)InChIKey: GEHZXRQNVRDLEB-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H13NO2.ClH/c10-8(11)7-4-5-2-1-3-6(5)9-7;/h5-7,9H,1-4H2,(H,10,11);1H
(5)Std. InChIKey: GEHZXRQNVRDLEB-UHFFFAOYSA-N
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