| CAS Number | 65423-11-2 |
| Catalog Number | AG00ES49(AGN-PC-0JN7S6) |
| Chemical Name | 2-(4-Butoxyphenyl)ethan-1-amine |
| IUPAC Name | 2-(4-butoxyphenyl)ethanamine |
| InChI | InChI=1S/C12H19NO/c1-2-3-10-14-12-6-4-11(5-7-12)8-9-13/h4-7H,2-3,8-10,13H2,1H3 |
| InChI Key | OIOGOZZYBQRPLA-UHFFFAOYSA-N |
| MDL Number | MFCD06212684 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | CCCCOC1=CC=C(CCN)C=C1 |
| Synonyms | 2-(4-butoxyphenyl)ethan-1-amine,
2-(4-butoxyphenyl)ethanamine,
65423-11-2,
4-butoxyphenethylamine,
AC1Q2XI3,
2-(4-butoxyphenyl)ethylamine,
AC1L513E,
SCHEMBL1047171,
CTK5C2694,
DTXSID40276909,
OIOGOZZYBQRPLA-UHFFFAOYSA-N,
ZINC3603678,
SBB077881,
AKOS000148102,
MCULE-2841593629,
NE27028,
EN300-42285,
CID216645,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number