| CAS Number | 1050591-26-8 |
| Catalog Number | AG00J3WS |
| Chemical Name | 4-{[(2-furylmethyl)amino]methyl}benzoic acid hydrochloride |
| IUPAC Name | 4-[(furan-2-ylmethylamino)methyl]benzoic acid;hydrochloride |
| InChI | InChI=1S/C13H13NO3.ClH/c15-13(16)11-5-3-10(4-6-11)8-14-9-12-2-1-7-17-12;/h1-7,14H,8-9H2,(H,15,16);1H |
| InChI Key | SYXGZGAYQYQRSU-UHFFFAOYSA-N |
| MDL Number | MFCD08068143 |
| Molecular Formula | C13H14ClNO3 |
| Molecular Weight | 267.7082 |
| SMILES | C1=COC(=C1)CNCC2=CC=C(C=C2)C(=O)O.Cl |
| Synonyms | 881452-94-4,
4-(((furan-2-ylmethyl)amino)methyl)benzoic acid hydrochloride,
4-{[(2-FURYLMETHYL)AMINO]METHYL}BENZOIC ACID HYDROCHLORIDE,
1050591-26-8,
AC1O5FJR,
CTK5F9427,
DTXSID30424194,
BB_SC-08390,
MFCD08068143,
AKOS027426947,
AG-H-55312,
MCULE-8329273001,
4-[(furan-2-ylmethylamino)methyl]benzoic acid hydrochloride,
4-([ BENZOICACIDHYDROCHLORIDE,
CID6457299,
4-[(2-furylmethylamino)methyl]benzoic Acid Hydrochloride,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.709g/mol |
| Monoisotopic Mass | 267.066g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number