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1 Gram |
Negotiable |
[2-(dipentylamino)-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethyl] acetate 5422-14-0 98%
【Name】
2-(dipentylamino)-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethyl acetate
【Iupac name】
[2-(dipentylamino)-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethyl] acetate
hydrochloride
【CAS Registry number】
5422-14-0
【Synonyms】
NSC8609
NSC-8609
5422-14-0
【Molecular Formula】
C28H41NO2 (Products with the same molecular formula)
【Molecular Weight】
423.6306
【Inchi】
InChI=1/C28H41NO2/c1-4-6-12-18-29(19-13-7-5-2)21-28(31-22(3)30)27-20-23-14-8-9-15-24(23)25-16-10-11-17-26(25)27/h10-11,16-17,20,28H,4-9,12-15,18-19,21H2,1-3H3
【Canonical SMILES】
CCCCCN(CCCCC)CC(C1=CC2=C(CCCC2)C3=CC=CC=C31)OC(=O)C.Cl
【MOL File】
5422-14-0.mol
Chemical and Physical Properties
【Density】
1.026g/cm3
【Boiling Point】
553.5°C at 760 mmHg
【Refractive Index】
1.55
【Flash Point】
146.1°C
【Computed Properties】
Molecular Weight:460.09158 [g/mol]
Molecular Formula:C28H42ClNO2
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:13
Exact Mass:459.290407
MonoIsotopic Mass:459.290407
Topological Polar Surface Area:29.5
Heavy Atom Count:32
Formal Charge:0
Complexity:511
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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