Home Aminos 4-((Diethylamino)methyl)benzoic acid hydrochloride

4-((Diethylamino)methyl)benzoic acid hydrochloride

CAS No.:
106261-54-5
Catalog Number:
AG007VCG
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
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Product Description
Catalog Number:
AG007VCG
Chemical Name:
4-((Diethylamino)methyl)benzoic acid hydrochloride
CAS Number:
106261-54-5
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
MDL Number:
MFCD07371665
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
SMILES:
CCN(Cc1ccc(cc1)C(=O)O)CC.Cl
Properties
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
Properties