1-Azabicyclo[2.2.2]octane


Chemical Name: 1-Azabicyclo[2.2.2]octane
CAS Number: 100-76-5
Product Number: AG00006Q(AGN-PC-0JK84E)
Synonyms:
MDL No:
Molecular Formula: C7H13N
Molecular Weight: 111.1848

Identification/Properties


Properties
MP:
157-160 °C(lit.)
BP:
149.5°C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Stability:
Air Sensitive
Refractive Index:
1.4500 (estimate)
Solubility:
H2O: very slightly soluble
Computed Properties
Molecular Weight:
111.188g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
111.105g/mol
Monoisotopic Mass:
111.105g/mol
Topological Polar Surface Area:
3.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
71.4
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H310-H315-H318
Precautionary Statements:
P501-P270-P262-P264-P280-P302+P352-P332+P313-P362-P301+P310+P330-P302+P350+P310-P305+P351+P338+P310-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback