| CAS Number | 4734-81-0 |
| Catalog Number | AG01BHL6(AGN-PC-0JLRDX) |
| Chemical Name | cyclooctylmethanamine |
| EC Number | 225-244-7 |
| IUPAC Name | cyclooctylmethanamine |
| InChI | InChI=1S/C9H19N/c10-8-9-6-4-2-1-3-5-7-9/h9H,1-8,10H2 |
| InChI Key | GQOIKWAYFXTZOK-UHFFFAOYSA-N |
| MDL Number | MFCD00154120 |
| Molecular Formula | C9H19N |
| Molecular Weight | 141.2539 |
| SMILES | NCC1CCCCCCC1 |
| Synonyms | Cyclooctylmethylamine,
cyclooctylmethanamine,
cyclooctanemethanamine,
4734-81-0,
EINECS 225-244-7,
C-cyclooctyl-methylamine,
AC1L2VB4,
SCHEMBL131302,
AC1Q546R,
CTK1D7430,
DTXSID50197111,
GQOIKWAYFXTZOK-UHFFFAOYSA-N,
ZINC4829246,
AKOS009459978,
MCULE-9635361503,
Cyclooctyl-methyl-amine,
C9-H19-N,
CID78473,
AR-1I3194,
40221-52-1,
50353-66-7,
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| Complexity | 72.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.258g/mol |
| Monoisotopic Mass | 141.152g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number