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1158741-90-2 | Benzenemethanamine, 2,3-dimethoxy-N-methyl-, hydrochloride (1:1)
CAS No: 1158741-90-2 Catalog No: AG000H0C MDL No:MFCD07108392
Product Description
Catalog Number:
AG000H0C
Chemical Name:
Benzenemethanamine, 2,3-dimethoxy-N-methyl-, hydrochloride (1:1)
CAS Number:
1158741-90-2
Molecular Formula:
C10H16ClNO2
Molecular Weight:
217.6925
MDL Number:
MFCD07108392
IUPAC Name:
1-(2,3-dimethoxyphenyl)-N-methylmethanamine;hydrochloride
InChI:
InChI=1S/C10H15NO2.ClH/c1-11-7-8-5-4-6-9(12-2)10(8)13-3;/h4-6,11H,7H2,1-3H3;1H
InChI Key:
KBFAEGLXWFVYKT-UHFFFAOYSA-N
SMILES:
CNCc1cccc(c1OC)OC.Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.087g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.693g/mol
Monoisotopic Mass:
217.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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