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79692-45-8 | Hexadecanamide, N-(4-aminophenyl)-N-[4-(diethylamino)-1-methylbutyl]-
CAS No: 79692-45-8 Catalog No: AG00579C MDL No:
Product Description
Catalog Number:
AG00579C
Chemical Name:
Hexadecanamide, N-(4-aminophenyl)-N-[4-(diethylamino)-1-methylbutyl]-
CAS Number:
79692-45-8
Molecular Formula:
C31H57N3O
Molecular Weight:
487.8038
IUPAC Name:
N-(4-aminophenyl)-N-[5-(diethylamino)pentan-2-yl]hexadecanamide
InChI:
InChI=1S/C31H57N3O/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-31(35)34(30-25-23-29(32)24-26-30)28(4)21-20-27-33(6-2)7-3/h23-26,28H,5-22,27,32H2,1-4H3
InChI Key:
POBNZPSYGGCKCI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)N(c1ccc(cc1)N)C(CCCN(CC)CC)C
NSC Number:
174501
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.45g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
487.817g/mol
Monoisotopic Mass:
487.45g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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