(S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride supplier

Name
(S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride
EINECS 618-975-1
CAS No. 93779-29-4
Article Data9
CAS DataBase
Density
Solubility
Melting Point 178-182 °C(lit.)
Formula C₁₅H₁₉NO₂^.HCl
Boiling Point 390.5 °C at 760 mmHg
Molecular Weight 281.782
Flash Point 190 °C
Transport Information
Appearance white to light yellow crystal powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclopenta[b]pyrrole-2-carboxylicacid, octahydro-, phenylmethyl ester, hydrochloride, (2a,3ab,6ab)- (9CI);(S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride;(+/-) Phenylmethoxy octahydro-cyclopenta[b]pyrrole-2- carboxylate hydrochloride;
PSA 38.33000
LogP 3.39120

(S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride Specification

The CAS register number of (S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride is 93779-29-4. It also can be called as (+/-) Phenylmethoxy octahydro-cyclopenta[b]pyrrole-2- carboxylate hydrochloride and the systematic name about this chemical is benzyl (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride. The molecular formula about this chemical is C₁₅H₁₉NO₂^.HCl;C₁₅H₂₀ClNO₂and the molecular weight is 281.78. It belongs to the following product categories, such as Pharmaceutical Intermediates; Intermediatesoframipril; Chiral; Aromatics; Chiral Reagents; Building Blocks; Heterocyclic Building Blocks; Pyrrolidines and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about (S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 7.4): 0.8; (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): 8.91; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 38.33Å²; (11)Flash Point: 190 °C; (12)Enthalpy of Vaporization: 65.25 kJ/mol; (13)Boiling Point: 390.5 °C at 760 mmHg; (14)Vapour Pressure: 1.76E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OCc1ccccc1)[C@@H]2C[C@@H]3CCC[C@@H]3N2
(2)InChI: InChI=1/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12-,13-,14-;/m0./s1
(3)InChIKey: HLXCXOQXUDRJLF-JKBZPBJLBX
(4)Std. InChI: InChI=1S/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12-,13-,14-;/m0./s1
(5)Std. InChIKey: HLXCXOQXUDRJLF-JKBZPBJLSA-N

Product Name

(S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride

(S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride Specification

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