| CAS Number | 90279-38-2 |
| Catalog Number | AG00J1GC(AGN-PC-07HCE2) |
| Chemical Name | 2-((Dimethylamino)methyl)benzoic acid hydrochloride |
| IUPAC Name | 2-[(dimethylamino)methyl]benzoic acid;hydrochloride |
| InChI | InChI=1S/C10H13NO2.ClH/c1-11(2)7-8-5-3-4-6-9(8)10(12)13;/h3-6H,7H2,1-2H3,(H,12,13);1H |
| InChI Key | DOAWHWDCVAIPGI-UHFFFAOYSA-N |
| MDL Number | MFCD11841286 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | C(O)(=O)C1C=CC=CC=1CN(C)C.Cl |
| Synonyms | 2-[(dimethylamino)methyl]benzoic acid hydrochloride,
90279-38-2,
2-((Dimethylamino)methyl)benzoic acid hydrochloride,
Benzoic acid, 2-[(dimethylamino)methyl]-, hydrochloride,
AC1Q3BKO,
CTK3I2508,
MFCD11841286,
AKOS015888751,
MCULE-9158550136,
NE40077,
EN300-52119,
I01-13834,
55741-01-0,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number