| CAS Number | 1047620-53-0 |
| Catalog Number | AG00J3SY(AGN-PC-0WB7H8) |
| Chemical Name | 1-Phenyl-N-(tetrahydro-2-furanylmethyl)methanamine hydrochloride |
| IUPAC Name | N-benzyl-1-(oxolan-2-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C12H17NO.ClH/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12;/h1-3,5-6,12-13H,4,7-10H2;1H |
| InChI Key | YNGMCCAYQTZSNI-UHFFFAOYSA-N |
| MDL Number | MFCD03175998 |
| Molecular Formula | C12H18ClNO |
| Molecular Weight | 227.7304 |
| SMILES | O1CCCC1CNCC1C=CC=CC=1.Cl |
| Synonyms | 1047620-53-0,
1-Phenyl-N-(tetrahydro-2-furanylmethyl)methanamine hydrochloride,
N-Benzyl-1-(tetrahydrofuran-2-yl)methanamine hydrochloride,
ARONIS005066,
KS-00003XOW,
ZX-CM016852,
MFCD03175998,
AKOS003745154,
MCULE-1665649416,
(oxolan-2-ylmethyl)benzylamine, chloride,
BB0282128,
ST45041845,
|
| Complexity | 154 |
| 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 | 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