| CAS Number | 1052223-70-7 |
| Catalog Number | AG008WGZ(AGN-PC-0WO5GO) |
| Chemical Name | 1-(2-Aminoethyl)-4-methoxycyclohexane |
| IUPAC Name | 2-(4-methoxycyclohexyl)ethanamine |
| InChI | InChI=1S/C9H19NO/c1-11-9-4-2-8(3-5-9)6-7-10/h8-9H,2-7,10H2,1H3 |
| InChI Key | CDTAOSZEZXQTRJ-UHFFFAOYSA-N |
| MDL Number | MFCD07772981 |
| Molecular Formula | C9H19NO |
| Molecular Weight | 157.2533 |
| SMILES | COC1CCC(CC1)CCN |
| Synonyms | 1052223-70-7,
2-(4-methoxycyclohexyl)ethanamine,
1-(2-Aminoethyl)-4-methoxycyclohexane,
2-(4-METHOXYCYCLOHEXYL)ETHAN-1-AMINE,
2-(4-Methoxycyclohexyl)ethylamine (cis- and trans- mixture),
SCHEMBL13993066,
2-(4-Methoxycyclohexyl)ethylamine,
2-(4-Methoxy-cyclohexyl)-ethylamine,
ZINC88187495,
AKOS006287071,
NE24339,
M2381,
2-(4-METHOXYCYCLOHEXYL)ETHYLAMINE 1G,
2-(4-METHOXYCYCLOHEXYL)ETHYLAMINE 5G,
2-(4-Methoxycyclohexyl)ethylamine (cis- and trans- mixture) =98.0% (by GC, titration analysis),
|
| Complexity | 97.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.146664g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.25g/mol |
| Monoisotopic Mass | 157.146664g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number