| CAS Number | 41959-29-9 |
| Catalog Number | AG00D72G(AGN-PC-0WCJAV) |
| Chemical Name | 2-Benzyl-2-azabicyclo[2.2.2]octan-6-ol |
| IUPAC Name | 2-benzyl-2-azabicyclo[2.2.2]octan-6-ol |
| InChI | InChI=1S/C14H19NO/c16-14-8-12-6-7-13(14)15(10-12)9-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2 |
| InChI Key | LSQZRPLAUOVRPZ-UHFFFAOYSA-N |
| MDL Number | MFCD00213766 |
| Molecular Formula | C14H19NO |
| Molecular Weight | 217.3068 |
| SMILES | OC1CC2CN(CC3=CC=CC=C3)C1CC2 |
| Synonyms | 2-benzyl-2-azabicyclo[2.2.2]octan-6-ol,
41959-29-9,
2-Benzyl-6-hydroxy-2-azabicyclo[2.2.2]octane,
AC1MWFF6,
SCHEMBL1974795,
LSQZRPLAUOVRPZ-UHFFFAOYSA-N,
AKOS025290900,
KS-0000046F,
AS-43257,
3-benzyl-3-azabicyclo[2.2.2]octan-5-ol,
AB0107693,
CS-0052016,
CID3698650,
CDS1_000023,
(1S,4R)-2-BENZYL-2-AZABICYCLO[2.2.2]OCTAN-6-OL,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.312g/mol |
| Monoisotopic Mass | 217.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number