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37529-27-4 | 4-HEPTYLANILINE
CAS No: 37529-27-4 Catalog No: AG003LGR MDL No:MFCD00007928
Product Description
Catalog Number:
AG003LGR
Chemical Name:
4-HEPTYLANILINE
CAS Number:
37529-27-4
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
MDL Number:
MFCD00007928
IUPAC Name:
4-heptylaniline
InChI:
InChI=1S/C13H21N/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7,14H2,1H3
InChI Key:
BNEWZYZRLNNWNR-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)N
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.318g/mol
Monoisotopic Mass:
191.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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