2-(dibutylamino)-1-(1,2-dihydroacenaphthylen-5-yl)propan-1-ol 5427-78-1

Details:

【Name】
2-(dibutylamino)-1-(1,2-dihydroacenaphthylen-5-yl)propan-1-ol
【Iupac name】
2-(dibutylamino)-1-(1,2-dihydroacenaphthylen-5-yl)propan-1-ol
【CAS Registry number】
5427-78-1
【Synonyms】
2-(dibutylamino)-1-(1,2-dihydroacenaphthylen-5-yl)propan-1-ol
5427-78-1
NSC13102
AC1L5DDJ
AC1Q76VO
AR-1C8893
NSC-13102
【Molecular Formula】
C23H33NO (Products with the same molecular formula)
【Molecular Weight】
339.5142
【Inchi】
InChI=1/C23H33NO/c1-4-6-15-24(16-7-5-2)17(3)23(25)21-14-13-19-12-11-18-9-8-10-20(21)22(18)19/h8-10,13-14,17,23,25H,4-7,11-12,15-16H2,1-3H3
【Canonical SMILES】
CCCCN(CCCC)C(C)C(C1=C2C=CC=C3C2=C(CC3)C=C1)O
【MOL File】
5427-78-1.mol
Chemical and Physical Properties
【Density】
1.053g/cm3
【Boiling Point】
504.4°C at 760 mmHg
【Refractive Index】
1.586
【Flash Point】
198.7°C
【Computed Properties】
Molecular Weight:339.51422 [g/mol]
Molecular Formula:C23H33NO
XLogP3-AA:5.6
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:9
Exact Mass:339.256215
MonoIsotopic Mass:339.256215
Topological Polar Surface Area:23.5
Heavy Atom Count:25
Formal Charge:0
Complexity:390
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:3
Effective Rotor Count:9.4
Conformer Sampling RMSD:1
CID Conformer Count:35