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39905-44-7 | 4-(Heptyloxy)aniline
CAS No: 39905-44-7 Catalog No: AG003LGT MDL No:MFCD00038135
Product Description
Catalog Number:
AG003LGT
Chemical Name:
4-(Heptyloxy)aniline
CAS Number:
39905-44-7
Molecular Formula:
C13H21NO
Molecular Weight:
207.3119
MDL Number:
MFCD00038135
IUPAC Name:
4-heptoxyaniline
InChI:
InChI=1S/C13H21NO/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3
InChI Key:
LTGYTOOKQWFTQG-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)N
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.317g/mol
Monoisotopic Mass:
207.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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