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4-hexadecylaniline

4-hexadecylaniline

CAS: 79098-13-8

Formula: C22H39N

SMILES: CCCCCCCCCCCCCCCCC1=CC=C(N)C=C1

IUPAC: 4-hexadecylaniline

InChI: InChI=1S/C22H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(23)20-18-21/h17-20H,2-16,23H2,1H3

Composition: C (83.21%), H (12.38%), N (4.41%)

Molar Mass: 317.561

Atom Count: 62

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 317.30825026
Formal Charge 0
FSP3 0.73
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey RBCCQATUVPNPGQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 104.81
Topological Polar Surface Area 26.02
Polarizability 40.97
Ring Count 1
Rotatable Bond Count 15

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