-
Name
(E)-(-)-Octahydrocyclopenta[b]pyrrole-2-carboxylic acid hydrochloride
- EINECS
- CAS No. 87269-86-1
- Article Data6
- CAS DataBase
- Density
- Solubility
- Melting Point
- Formula C8H13NO2.HCl
- Boiling Point 333.9 °C at 760 mmHg
- Molecular Weight 191.658
- Flash Point 155.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Cyclopenta[b]pyrrole-2-carboxylicacid, octahydro-, hydrochloride, (2S,3aS,6aS)- (9CI);Cyclopenta[b]pyrrole-2-carboxylic acid, octahydro-, hydrochloride, [2S-(2a,3ab,6ab)]-;
- PSA 49.33000
- LogP 1.73240
(E)-(-)-Octahydrocyclopenta[b]pyrrole-2-carboxylic acid hydrochloride Specification
This chemical is called (E)-(-)-Octahydrocyclopenta[b]pyrrole-2-carboxylic acid hydrochloride, and its systematic name is octahydrocyclopenta[b]pyrrole-2-carboxylic acid hydrochloride (1:1). With the molecular formula of C8H13NO2.HCl, its molecular weight is 191.66. The CAS registry number of this chemical is 87269-86-1.
Other characteristics of the (E)-(-)-Octahydrocyclopenta[b]pyrrole-2-carboxylic acid hydrochloride can be summarised as followings: (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)Flash Point: 155.8 °C; (12)Enthalpy of Vaporization: 63.4 kJ/mol; (13)Boiling Point: 333.9 °C at 760 mmHg; (14)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
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