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20781-22-0 | Benzenemethanamine, 2,6-dimethoxy-
CAS No: 20781-22-0 Catalog No: AG002JBK MDL No:MFCD00052812
Product Description
Catalog Number:
AG002JBK
Chemical Name:
Benzenemethanamine, 2,6-dimethoxy-
CAS Number:
20781-22-0
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD00052812
IUPAC Name:
(2,6-dimethoxyphenyl)methanamine
InChI:
InChI=1S/C9H13NO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,6,10H2,1-2H3
InChI Key:
XEKGMBAKVJAVAZ-UHFFFAOYSA-N
SMILES:
NCc1c(OC)cccc1OC
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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