| CAS Number | 953883-20-0 |
| Catalog Number | AG019N3Q |
| Chemical Name | 1-(3-[(2-Furylmethoxy)methyl]phenyl)methanamine |
| IUPAC Name | [3-(furan-2-ylmethoxymethyl)phenyl]methanamine |
| InChI | InChI=1S/C13H15NO2/c14-8-11-3-1-4-12(7-11)9-15-10-13-5-2-6-16-13/h1-7H,8-10,14H2 |
| InChI Key | UXWFJCHWUYCJKM-UHFFFAOYSA-N |
| MDL Number | MFCD09731076 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | NCC1=CC(COCC2OC=CC=2)=CC=C1 |
| Synonyms | 1-{3-[(2-furylmethoxy)methyl]phenyl}methanamine,
{3-[(furan-2-ylmethoxy)methyl]phenyl}methanamine,
953883-20-0,
EN300-39313,
AC1Q53V4,
SCHEMBL9994936,
CTK7E5439,
UXWFJCHWUYCJKM-UHFFFAOYSA-N,
ZINC22171499,
AKOS000141821,
3-(furan-2-ylmethoxymethyl)benzylamine,
(3-{[(furan-2-yl)methoxy]methyl}phenyl)methanamine,
(3-[(furan-2-ylmethoxy)methyl]phenyl)methanamine,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.268g/mol |
| Monoisotopic Mass | 217.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number