| CAS Number | 1235439-59-4 |
| Catalog Number | AG01A7XC |
| Chemical Name | 4-(([(1-Ethylpyrrolidin-2-yl)methyl]amino)methyl)phenol dihydrochloride |
| IUPAC Name | 4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol;dihydrochloride |
| InChI | InChI=1S/C14H22N2O.2ClH/c1-2-16-9-3-4-13(16)11-15-10-12-5-7-14(17)8-6-12;;/h5-8,13,15,17H,2-4,9-11H2,1H3;2*1H |
| InChI Key | WTLOSGVJROXTLJ-UHFFFAOYSA-N |
| MDL Number | MFCD14705864 |
| Molecular Formula | C14H24Cl2N2O |
| Molecular Weight | 307.2592 |
| SMILES | Cl.Cl.CCN1C(CNCC2=CC=C(O)C=C2)CCC1 |
| Synonyms | 4-({[(1-ethylpyrrolidin-2-yl)methyl]amino}methyl)phenol dihydrochloride,
1235439-59-4,
AC1Q3AAH,
CTK6F0070,
AKOS008040862,
MCULE-3739587582,
NE18817,
EN300-60075,
Z1262246234,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.259g/mol |
| Monoisotopic Mass | 306.127g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number