| CAS Number | 1158513-46-2 |
| Catalog Number | AG00J42F |
| Chemical Name | N-(4-Methoxybenzyl)prop-2-yn-1-amine hydrochloride |
| IUPAC Name | N-[(4-methoxyphenyl)methyl]prop-2-yn-1-amine;hydrochloride |
| InChI | InChI=1S/C11H13NO.ClH/c1-3-8-12-9-10-4-6-11(13-2)7-5-10;/h1,4-7,12H,8-9H2,2H3;1H |
| InChI Key | WWWFVMBIOSJRPH-UHFFFAOYSA-N |
| MDL Number | MFCD07170777 |
| Molecular Formula | C11H14ClNO |
| Molecular Weight | 211.6880 |
| SMILES | Cl.COC1=CC=C(CNCC#C)C=C1 |
| Synonyms | N-(4-Methoxybenzyl)-2-propyn-1-amine hydrochloride,
1158513-46-2,
ZX-CM018287,
MFCD07170777,
AKOS024397983,
MCULE-8243774714,
N-(4-methoxybenzyl)prop-2-yn-1-amine hydrochloride,
98729-72-7,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.689g/mol |
| Monoisotopic Mass | 211.076g/mol |
| Rotatable Bond Count | 4 |
| 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