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17847-26-6 | Benzoic acid, 4-[(dimethylamino)methyl]-, hydrochloride (1:1)
CAS No: 17847-26-6 Catalog No: AG002637 MDL No:MFCD09997604
Product Description
Catalog Number:
AG002637
Chemical Name:
Benzoic acid, 4-[(dimethylamino)methyl]-, hydrochloride (1:1)
CAS Number:
17847-26-6
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD09997604
IUPAC Name:
4-[(dimethylamino)methyl]benzoic acid;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-11(2)7-8-3-5-9(6-4-8)10(12)13;/h3-6H,7H2,1-2H3,(H,12,13);1H
InChI Key:
SNTRRUBDUJPTLH-UHFFFAOYSA-N
SMILES:
CN(Cc1ccc(cc1)C(=O)O)C.Cl
Properties
Complexity:
172
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
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