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137788-51-3 | 1-Propanol, 3-[[(2,3-dimethoxyphenyl)methyl]amino]-
CAS No: 137788-51-3 Catalog No: AG0013US MDL No:MFCD00483085
Product Description
Catalog Number:
AG0013US
Chemical Name:
1-Propanol, 3-[[(2,3-dimethoxyphenyl)methyl]amino]-
CAS Number:
137788-51-3
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD00483085
IUPAC Name:
3-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol
InChI:
InChI=1S/C12H19NO3/c1-15-11-6-3-5-10(12(11)16-2)9-13-7-4-8-14/h3,5-6,13-14H,4,7-9H2,1-2H3
InChI Key:
UORGOETVDFBNAN-UHFFFAOYSA-N
SMILES:
COc1c(CNCCCO)cccc1OC
Properties
Complexity:
178
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:
2
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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