(1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride supplier

Name
(1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride
EINECS
CAS No. 87269-87-2
Article Data9
CAS DataBase
Density
Solubility Soluble in methanol
Melting Point 176-180 °C(lit.)
Formula C₁₅H₁₉NO₂^.HCl
Boiling Point 390.5 °C at 760 mmHg
Molecular Weight 281.782
Flash Point 190 °C
Transport Information
Appearance thick yellow oil
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclopenta[b]pyrrole-2-carboxylicacid, octahydro-, phenylmethyl ester, hydrochloride, (2S,3aS,6aS)- (9CI);Cyclopenta[b]pyrrole-2-carboxylic acid, octahydro-, phenylmethyl ester,hydrochloride, [2S-(2a,3ab,6ab)]-;
PSA 38.33000
LogP 3.39120

(1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride Specification

The (1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride, with the CAS registry number 87269-87-2, is also known as Cyclopenta[b]pyrrole-2-carboxylic acid, octahydro-, phenylmethyl ester, (2S,3alphaS,6alphaS)-, hydrochloride (1:1). It belongs to the product categories of Pharmaceutical Intermediates; Aromatics; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. Its systematic name is called benzyl (2S,3alphaS,6alphaS)-octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride. The product should be sealed and stored in cool and dry place. When you are using this chemical, please be cautious about it. You should not breathe its dust. Besides, you must avoid contacting it with skin and eyes. This chemical is thick yellow oil which can be used as intermediate in the synthesis of ramipril.

Physical properties of (1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride: (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)Flash Point: 190 °C; (11)Enthalpy of Vaporization: 65.25 kJ/mol; (12)Boiling Point: 390.5 °C at 760 mmHg; (13)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

Product Name

(1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride

(1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride Specification

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