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114214-49-2

Basic Information
CAS No.: 114214-49-2
Name: 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylicacid, 1,1-dimethylethyl ester
Article Data: 74
Cas Database
Molecular Structure:
Molecular Structure of 114214-49-2 (6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylicacid, 1,1-dimethylethyl ester)
Formula: C9H15NO3
Molecular Weight: 185.223
Synonyms: 1,1-Dimethylethyl6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;1-tert-Butoxycarbonyl-3,4-epoxypyrrolidine;6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester;tert-Butyl6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;
EINECS: 676-408-3
Density: 1.182 g/cm3
Melting Point: N/A
Boiling Point: 252.725 °C at 760 mmHg
Flash Point: 106.644 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 42.07000
LogP: 0.94240
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Chemistry

Molecule structure of 3-Boc-6-oxa-3-aza-bicyclo[3.1.0]hexane (CAS NO.114214-49-2):

IUPAC Name: tert-Butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
Molecular Weight: 185.2203 [g/mol]
Molecular Formula: C9H15NO3 
Index of Refraction: 1.505
Molar Refractivity: 46.486 cm3
Molar Volume: 156.762 cm3
Surface Tension: 40.635 dyne/cm
Density: 1.182 g/cm3
Flash Point: 106.644 °C
Enthalpy of Vaporization: 49.008 kJ/mol
Boiling Point: 252.725 °C at 760 mmHg
Vapour Pressure: 0.019 mmHg at 25 °C
XLogP3-AA: 0.6
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 185.105193
MonoIsotopic Mass: 185.105193
Topological Polar Surface Area: 42.1
Heavy Atom Count: 13 
Complexity: 224
Canonical SMILES: CC(C)(C)OC(=O)N1CC2C(C1)O2
InChI: InChI=1S/C9H15NO3/c1-9(2,3)13-8(11)10-4-6-7(5-10)12-6/h6-7H,4-5H2,1-3H3
InChIKey: NXZIGGBPLGAPTI-UHFFFAOYSA-N
Product Categories of 3-Boc-6-oxa-3-aza-bicyclo[3.1.0]hexane (CAS NO.114214-49-2): pharmacetical

Safety Profile

HazardClass: IRRITANT

Specification

 3-Boc-6-oxa-3-aza-bicyclo[3.1.0]hexane (CAS NO.114214-49-2) is also called 6-Oxa-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester ; 1,1-Dimethylethyl6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate ; 1-tert-Butoxycarbonyl-3,4-epoxypyrrolidine ; 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester ; tert-Butyl6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate .