| CAS Number | 86926-56-9 |
| Catalog Number | AG00JTL3(AGN-PC-0LG10U) |
| Chemical Name | [(4-Methoxyphenyl)methyl](prop-2-en-1-yl)amine |
| IUPAC Name | N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine |
| InChI | InChI=1S/C11H15NO/c1-3-8-12-9-10-4-6-11(13-2)7-5-10/h3-7,12H,1,8-9H2,2H3 |
| InChI Key | RWUUVIFIVMIGJA-UHFFFAOYSA-N |
| MDL Number | MFCD07406339 |
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.2429 |
| SMILES | COC1=CC=C(CNCC=C)C=C1 |
| Synonyms | [(4-methoxyphenyl)methyl](prop-2-en-1-yl)amine,
86926-56-9,
allyl-(4-methoxybenzyl)amine,
4-Methoxybenzylallylamine,
AC1NG3BF,
AC1Q4CRU,
N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine,
SCHEMBL5577604,
CTK8F2261,
KS-00001LJY,
N-allyl-N-(4-methoxybenzyl)amine,
ZINC6603006,
MFCD07406339,
AKOS000224215,
MCULE-4881616516,
NE29330,
EN300-50975,
CID4717987,
N-(4-methoxybenzyl)prop-2-en-1-amine,
86926-54-7,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.247g/mol |
| Monoisotopic Mass | 177.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number