| CAS Number | 1185690-98-5 |
| Catalog Number | AG00J11R(AGN-PC-0WB6FO) |
| Chemical Name | [4-(Tetrahydro-2H-pyran-2-ylmethoxy)phenyl]amine hydrochloride |
| IUPAC Name | 4-(oxan-2-ylmethoxy)aniline;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12;/h4-7,12H,1-3,8-9,13H2;1H |
| InChI Key | IGOUSOFFSYKTMB-UHFFFAOYSA-N |
| MDL Number | MFCD13031901 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | O1CCCCC1COC1C=CC(N)=CC=1.Cl |
| Synonyms | 1185690-98-5,
[4-(TETRAHYDRO-2H-PYRAN-2-YLMETHOXY)PHENYL]AMINE HYDROCHLORIDE,
4-((Tetrahydro-2H-pyran-2-yl)methoxy)aniline hydrochloride,
4-(Tetrahydro-2H-pyran-2-ylmethoxy)aniline hydrochloride,
ZX-CM002595,
MFCD13031901,
AKOS027425198,
[4-(Tetrahydro-2H-pyran-2-ylmethoxy)phenyl]amine HCl,
4-(Tetrahydro-2H-pyran-2-ylmethoxy)aniline hydrochloride, AldrichCPR,
T3185,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number