| CAS Number | 3211-86-7 |
| Catalog Number | AG01EM2K(AGN-PC-0R7FXK) |
| Chemical Name | rac-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methanamine |
| IUPAC Name | [(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methanamine |
| InChI | InChI=1S/C8H13N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,9H2/t6-,7+,8+/m1/s1 |
| InChI Key | XLBALIGLOMYEKN-CSMHCCOUSA-N |
| MDL Number | MFCD28024824 |
| Molecular Formula | C8H13N |
| Molecular Weight | 123.1955 |
| SMILES | NC[C@H]1[C@H]2C=C[C@H](C2)C1 |
| Synonyms | 3211-86-7,
SCHEMBL11713670,
ZINC12404535,
rac-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methanamine,
(1R,2R,4R)-Bicyclo[2.2.1]hept-5-en-2-ylmethanamine, AldrichCPR,
rac-1-[(1R,2r,4R)-Bicyclo[2.2.1]hept-5-en-2-yl]methanamine,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 123.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 123.199g/mol |
| Monoisotopic Mass | 123.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number