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101589-21-3 | Benzenemethanamine, α-ethyl-3,4-dimethoxy-
CAS No: 101589-21-3 Catalog No: AG0004XC MDL No:MFCD09042084
Product Description
Catalog Number:
AG0004XC
Chemical Name:
Benzenemethanamine, α-ethyl-3,4-dimethoxy-
CAS Number:
101589-21-3
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
MDL Number:
MFCD09042084
IUPAC Name:
1-(3,4-dimethoxyphenyl)propan-1-amine
InChI:
InChI=1S/C11H17NO2/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7,9H,4,12H2,1-3H3
InChI Key:
GOYNRRVQKKZYOW-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)OC)OC)N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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