| CAS Number | 106261-54-5 |
| Catalog Number | AG007VCG(AGN-PC-0NIGH7) |
| Chemical Name | 4-((Diethylamino)Methyl)Benzoic Acid Hydrochloride |
| IUPAC Name | 4-(diethylaminomethyl)benzoic acid;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-3-13(4-2)9-10-5-7-11(8-6-10)12(14)15;/h5-8H,3-4,9H2,1-2H3,(H,14,15);1H |
| InChI Key | DRSXCOZXAABDPN-UHFFFAOYSA-N |
| MDL Number | MFCD07371665 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | Cl.CCN(CC)CC1=CC=C(C=C1)C(O)=O |
| Synonyms | 106261-54-5,
4-((Diethylamino)methyl)benzoic acid hydrochloride,
4-[(Diethylamino)methyl]benzoic acid hydrochloride,
4-DIETHYLAMINOMETHYL-BENZOIC ACID HYDROCHLORIDE,
SCHEMBL6297059,
CTK8B7477,
DTXSID40486107,
DRSXCOZXAABDPN-UHFFFAOYSA-N,
1410AA,
ANW-57446,
CD-203,
AKOS015940776,
4-[(Diethylamino)methyl]benzoic Acid HCl,
TC-146191,
4-diethylaminomethyl benzoic acid hydrochloride,
Z-4980,
4-(N,N-diethylaminomethyl)benzoic acid hydrochloride,
4-DIETHYLAMINOMETHYL-BENZOICACIDHYDROCHLORIDE,
C12H18ClNO2,
4-((diethylamino)methyl)benzoicacid hydrochloride,
|
| Complexity | 194 |
| 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 | 5 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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