| CAS Number | 1048640-79-4 |
| Catalog Number | AG00J3TK(AGN-PC-0WB7FI) |
| Chemical Name | N-(4-Methylbenzyl)-1-(tetrahydrofuran-2-yl)methanamine hydrochloride |
| IUPAC Name | N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C13H19NO.ClH/c1-11-4-6-12(7-5-11)9-14-10-13-3-2-8-15-13;/h4-7,13-14H,2-3,8-10H2,1H3;1H |
| InChI Key | SMVULGMTUVYZBQ-UHFFFAOYSA-N |
| MDL Number | MFCD03930959 |
| Molecular Formula | C13H20ClNO |
| Molecular Weight | 241.7570 |
| SMILES | O1CCCC1CNCC1=CC=C(C)C=C1.Cl |
| Synonyms | 1048640-79-4,
(4-Methylbenzyl)(tetrahydro-2-furanylmethyl)amine hydrochloride,
ARONIS005012,
KS-00003XNE,
ZX-CM016846,
MFCD03930959,
AKOS003745322,
MCULE-5042535075,
ST45041793,
[(4-methylphenyl)methyl](oxolan-2-ylmethyl)amine, chloride,
N-(4-Methylbenzyl)-1-(tetrahydrofuran-2-yl)methanamine hydrochloride,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.759g/mol |
| Monoisotopic Mass | 241.123g/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