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100841-00-7 | 1-Propanamine, 3-(4-methoxyphenoxy)-
CAS No: 100841-00-7 Catalog No: AG000300 MDL No:MFCD05053658
Product Description
Catalog Number:
AG000300
Chemical Name:
1-Propanamine, 3-(4-methoxyphenoxy)-
CAS Number:
100841-00-7
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD05053658
IUPAC Name:
3-(4-methoxyphenoxy)propan-1-amine
InChI:
InChI=1S/C10H15NO2/c1-12-9-3-5-10(6-4-9)13-8-2-7-11/h3-6H,2,7-8,11H2,1H3
InChI Key:
NCGAPYLHHZMWPI-UHFFFAOYSA-N
SMILES:
NCCCOc1ccc(cc1)OC
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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