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93779-30-7

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Basic Information
CAS No.: 93779-30-7
Name: (+/-)-Octahydrocyclopenta[b]pyrrole-2-carboxylic acid hydrochloride
Article Data: 4
Molecular Structure:
Molecular Structure of 93779-30-7 ((+/-)-Octahydrocyclopenta[b]pyrrole-2-carboxylic acid hydrochloride)
Formula: C8H13NO2.HCl
Molecular Weight: 191.658
Synonyms: Cyclopenta[b]pyrrole-2-carboxylicacid, octahydro-, hydrochloride, (2a,3ab,6ab)- (9CI);Cyclopenta[b]pyrrole-2-carboxylic acid,octahydro-, hydrochloride, (2a,3ab,6ab)-(?à)-;
Boiling Point: 333.9 °C at 760 mmHg
Flash Point: 155.8 °C
PSA: 49.33000
LogP: 1.73240
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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