Home Boronic acids (3-((dimethylamino)methyl)-4-methoxyphenyl)boronic acid hydrochloride

(3-((dimethylamino)methyl)-4-methoxyphenyl)boronic acid hydrochloride

CAS No.:
1485418-43-6
Catalog Number:
AG01A00T
Molecular Formula:
C10H17BClNO3
Molecular Weight:
245.5109
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Product Description
Catalog Number:
AG01A00T
Chemical Name:
(3-((dimethylamino)methyl)-4-methoxyphenyl)boronic acid hydrochloride
CAS Number:
1485418-43-6
Molecular Formula:
C10H17BClNO3
Molecular Weight:
245.5109
MDL Number:
MFCD22375401
IUPAC Name:
[3-[(dimethylamino)methyl]-4-methoxyphenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C10H16BNO3.ClH/c1-12(2)7-8-6-9(11(13)14)4-5-10(8)15-3;/h4-6,13-14H,7H2,1-3H3;1H
InChI Key:
DRTWKCITPCJXGE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CN(C)C)B(O)O.Cl
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.099g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
245.51g/mol
Monoisotopic Mass:
245.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties