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2970-95-8 | Benzenemethanol, α-[(dimethylamino)methyl]-3,4-dimethoxy-
CAS No: 2970-95-8 Catalog No: AG002Z5L MDL No:
Product Description
Catalog Number:
AG002Z5L
Chemical Name:
Benzenemethanol, α-[(dimethylamino)methyl]-3,4-dimethoxy-
CAS Number:
2970-95-8
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
IUPAC Name:
1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
InChI:
InChI=1S/C12H19NO3/c1-13(2)8-10(14)9-5-6-11(15-3)12(7-9)16-4/h5-7,10,14H,8H2,1-4H3
InChI Key:
YAIPYAQVBZPSSC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(CN(C)C)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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