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141264-91-7 | 1-Propanamine, 3-(9-phenanthrenyloxy)-
CAS No: 141264-91-7 Catalog No: AG001G59 MDL No:
Product Description
Catalog Number:
AG001G59
Chemical Name:
1-Propanamine, 3-(9-phenanthrenyloxy)-
CAS Number:
141264-91-7
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
3-phenanthren-9-yloxypropan-1-amine
InChI:
InChI=1S/C17H17NO/c18-10-5-11-19-17-12-13-6-1-2-7-14(13)15-8-3-4-9-16(15)17/h1-4,6-9,12H,5,10-11,18H2
InChI Key:
HTAKRQPRZVLMBC-UHFFFAOYSA-N
SMILES:
NCCCOc1cc2ccccc2c2c1cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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