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87740-31-6 | Benzenamine, 3-[(4-pentylphenoxy)methyl]-, hydrochloride
CAS No: 87740-31-6 Catalog No: AG004LNH MDL No:
Product Description
Catalog Number:
AG004LNH
Chemical Name:
Benzenamine, 3-[(4-pentylphenoxy)methyl]-, hydrochloride
CAS Number:
87740-31-6
Molecular Formula:
C18H24ClNO
Molecular Weight:
305.8423
IUPAC Name:
3-[(4-pentylphenoxy)methyl]aniline;hydrochloride
InChI:
InChI=1S/C18H23NO.ClH/c1-2-3-4-6-15-9-11-18(12-10-15)20-14-16-7-5-8-17(19)13-16;/h5,7-13H,2-4,6,14,19H2,1H3;1H
InChI Key:
QGFIEVGXEUSDMG-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)OCc1cccc(c1)N.Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.155g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.846g/mol
Monoisotopic Mass:
305.155g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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