| CAS Number | 871658-02-5 |
| Catalog Number | AG003947(AGN-PC-0WA650) |
| Chemical Name | 3-azabicyclo[2.1.1]hexane,hydrochloride |
| IUPAC Name | 2-azabicyclo[2.1.1]hexane;hydrochloride |
| InChI | InChI=1S/C5H9N.ClH/c1-4-2-5(1)6-3-4;/h4-6H,1-3H2;1H |
| InChI Key | ILHPSPUYHFANIX-UHFFFAOYSA-N |
| MDL Number | MFCD19160638 |
| Molecular Formula | C5H10ClN |
| Molecular Weight | 119.5926 |
| SMILES | [H]Cl.C1(C2)CNC2C1 |
| Synonyms | 2-Azabicyclo[2.1.1]hexane hydrochloride,
871658-02-5,
2-Azabicyclo[2.1.1]hexane HCl,
3-azabicyclo[2.1.1]hexane,hydrochloride,
SCHEMBL2277077,
ILHPSPUYHFANIX-UHFFFAOYSA-N,
KS-000004DW,
AKOS006239339,
SB11444,
AK142715,
AS-33965,
OR317269,
CS-0052048,
2-azabicyclo[2.1.1]hexane hydrochloride salt,
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| Complexity | 64.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.050177g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.59g/mol |
| Monoisotopic Mass | 119.050177g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number