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80861-25-2 | Benzenamine, 3-(4-methyl-5-phenylpentyl)-
CAS No: 80861-25-2 Catalog No: AG005IB8 MDL No:
Product Description
Catalog Number:
AG005IB8
Chemical Name:
Benzenamine, 3-(4-methyl-5-phenylpentyl)-
CAS Number:
80861-25-2
Molecular Formula:
C18H23N
Molecular Weight:
253.3819
IUPAC Name:
3-(4-methyl-5-phenylpentyl)aniline
InChI:
InChI=1S/C18H23N/c1-15(13-16-8-3-2-4-9-16)7-5-10-17-11-6-12-18(19)14-17/h2-4,6,8-9,11-12,14-15H,5,7,10,13,19H2,1H3
InChI Key:
MVAPKMUOALDKFU-UHFFFAOYSA-N
SMILES:
CC(Cc1ccccc1)CCCc1cccc(c1)N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.389g/mol
Monoisotopic Mass:
253.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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