| CAS Number | 1158262-72-6 |
| Catalog Number | AG00J41B |
| Chemical Name | N-(3-methoxybenzyl)-2-propen-1-amine hydrochloride |
| IUPAC Name | N-[(3-methoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C11H15NO.ClH/c1-3-7-12-9-10-5-4-6-11(8-10)13-2;/h3-6,8,12H,1,7,9H2,2H3;1H |
| InChI Key | YKZZILPBNOBWPD-UHFFFAOYSA-N |
| MDL Number | MFCD07107913 |
| Molecular Formula | C11H16ClNO |
| Molecular Weight | 213.7038 |
| SMILES | C(CNCC1C=CC=C(OC)C=1)=C.Cl |
| Synonyms | N-(3-Methoxybenzyl)-2-propen-1-amine hydrochloride,
1158262-72-6,
ZX-CM018149,
MFCD07107913,
MCULE-5887740253,
110841-68-4,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.705g/mol |
| Monoisotopic Mass | 213.092g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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