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129041-16-3 | Butanoic acid, 4-[bis(1-naphthalenylmethyl)amino]-
CAS No: 129041-16-3 Catalog No: AG000YSL MDL No:
Product Description
Catalog Number:
AG000YSL
Chemical Name:
Butanoic acid, 4-[bis(1-naphthalenylmethyl)amino]-
CAS Number:
129041-16-3
Molecular Formula:
C26H25NO2
Molecular Weight:
383.4822
IUPAC Name:
4-[bis(naphthalen-1-ylmethyl)amino]butanoic acid
InChI:
InChI=1S/C26H25NO2/c28-26(29)16-7-17-27(18-22-12-5-10-20-8-1-3-14-24(20)22)19-23-13-6-11-21-9-2-4-15-25(21)23/h1-6,8-15H,7,16-19H2,(H,28,29)
InChI Key:
MLIKHHMYNRBFBB-UHFFFAOYSA-N
SMILES:
OC(=O)CCCN(Cc1cccc2c1cccc2)Cc1cccc2c1cccc2
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.189g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.491g/mol
Monoisotopic Mass:
383.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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