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113598-97-3 | 1-Pyreneoctanamine, hydrochloride (1:1)
CAS No: 113598-97-3 Catalog No: AG000938 MDL No:
Product Description
Catalog Number:
AG000938
Chemical Name:
1-Pyreneoctanamine, hydrochloride (1:1)
CAS Number:
113598-97-3
Molecular Formula:
C24H28ClN
Molecular Weight:
365.9388
IUPAC Name:
8-pyren-1-yloctan-1-amine;hydrochloride
InChI:
InChI=1S/C24H27N.ClH/c25-17-6-4-2-1-3-5-8-18-11-12-21-14-13-19-9-7-10-20-15-16-22(18)24(21)23(19)20;/h7,9-16H,1-6,8,17,25H2;1H
InChI Key:
BPHIANLNQXMGGP-UHFFFAOYSA-N
SMILES:
NCCCCCCCCc1ccc2c3c1ccc1c3c(cc2)ccc1.Cl
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.191g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.945g/mol
Monoisotopic Mass:
365.191g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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