| CAS Number | 1170204-27-9 |
| Catalog Number | AG019N6G |
| Chemical Name | N-Ethyl-n-[1-(3-methoxyphenyl)ethyl]amine hydrochloride |
| IUPAC Name | N-ethyl-1-(3-methoxyphenyl)ethanamine;hydrochloride |
| InChI | InChI=1S/C11H17NO.ClH/c1-4-12-9(2)10-6-5-7-11(8-10)13-3;/h5-9,12H,4H2,1-3H3;1H |
| InChI Key | GXRURJRCAVDVRW-UHFFFAOYSA-N |
| MDL Number | MFCD11505461 |
| Molecular Formula | C11H18ClNO |
| Molecular Weight | 215.7197 |
| SMILES | Cl.CCNC(C1=CC(OC)=CC=C1)C |
| Synonyms | ethyl[1-(3-methoxyphenyl)ethyl]amine hydrochloride,
1170204-27-9,
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]amine hydrochloride,
AC1Q39TV,
CTK6F2130,
MCULE-2501618250,
NE15162,
EN300-39517,
Z398513626,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.721g/mol |
| Monoisotopic Mass | 215.108g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number