| CAS Number | 1050483-95-8 |
| Catalog Number | AG00J401 |
| Chemical Name | N-[3-(allyloxy)benzyl]ethanamine hydrochloride |
| IUPAC Name | N-[(3-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C12H17NO.ClH/c1-3-8-14-12-7-5-6-11(9-12)10-13-4-2;/h3,5-7,9,13H,1,4,8,10H2,2H3;1H |
| InChI Key | GCJUMROMNGSVPN-UHFFFAOYSA-N |
| MDL Number | MFCD08596375 |
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.7304 |
| SMILES | C(COC1=CC=CC(CNCC)=C1)=C.Cl |
| Synonyms | N-[3-(Allyloxy)benzyl]ethanamine hydrochloride,
1050483-95-8,
ZX-CM018079,
MFCD08596375,
869942-49-4,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.732g/mol |
| Monoisotopic Mass | 227.108g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number