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100054-84-0 | Benzenemethanamine, N-ethyl-2,3-dimethoxy-
CAS No: 100054-84-0 Catalog No: AG0000PX MDL No:MFCD07405845
Product Description
Catalog Number:
AG0000PX
Chemical Name:
Benzenemethanamine, N-ethyl-2,3-dimethoxy-
CAS Number:
100054-84-0
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
MDL Number:
MFCD07405845
IUPAC Name:
N-[(2,3-dimethoxyphenyl)methyl]ethanamine
InChI:
InChI=1S/C11H17NO2/c1-4-12-8-9-6-5-7-10(13-2)11(9)14-3/h5-7,12H,4,8H2,1-3H3
InChI Key:
GHYNFIZMFFWMNL-UHFFFAOYSA-N
SMILES:
CCNCc1cccc(c1OC)OC
Properties
Complexity:
152
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:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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