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CAS 69759-61-1
Also known as: 69759-61-1, 2-(dibutylamino)-1-(2,7-dichloro-9h-fluoren-4-yl)ethanol, 2,7-dichloro-alpha-[(dibutylamino)-methyl]-9h-fluorene-4-methanol, Schembl5808111, Chembl3230061, Dtxsid70330760
Molecular Formula
C23H29Cl2NO
Molecular Weight
406.4  g/mol
InChI Key
DALUOHFKVYCDCW-UHFFFAOYSA-N

1 2D Structure

CAS 69759-61-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(dibutylamino)-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol
2.1.2 InChI
InChI=1S/C23H29Cl2NO/c1-3-5-9-26(10-6-4-2)15-22(27)21-14-19(25)13-17-11-16-12-18(24)7-8-20(16)23(17)21/h7-8,12-14,22,27H,3-6,9-11,15H2,1-2H3
2.1.3 InChI Key
DALUOHFKVYCDCW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCN(CCCC)CC(C1=CC(=CC2=C1C3=C(C2)C=C(C=C3)Cl)Cl)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 69759-61-1

2. 2-(dibutylamino)-1-(2,7-dichloro-9h-fluoren-4-yl)ethanol

3. 2,7-dichloro-alpha-[(dibutylamino)-methyl]-9h-fluorene-4-methanol

4. Schembl5808111

5. Chembl3230061

6. Dtxsid70330760

7. Mfcd12923306

8. Akos015899558

9. Sb66888

10. As-10058

11. Db-024460

12. A9224

13. Cs-0152113

14. Ft-0660547

15. D95749

16. 221d071

17. J-507537

18. 2-(di-n-butylamino)-1-[2,7-dichloro-9h-fluoren-4-yl]ethanol

19. 2-(dibutylamino)-1-(2,7-dichloro-9h-fluoren-4-yl)ethanol Hcl

20. 2-(dibutylamino)-1-(2,7-dichloro-9h-fluoren-4-yl)ethan-1-ol

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 406.4 g/mol
Molecular Formula C23H29Cl2NO
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass405.1626199 g/mol
Monoisotopic Mass405.1626199 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food a...
Haorui, established in 1997, is a manufacturer and supplier of APIs, intermediates, veterinary and food additives. Meanwhile, it is assisting global pharmaceutical companies to get the domestic registration of their finished dosage for their international expansion. Our USFDA approved products Flumazenil, Granisetron HCl, Granisetron Base, Docetaxel Anhydrous, Irinotecan HCl, Dasatinib Monohydrate, Oxaliplatin and Temozolomide have been recognized by our customers globally. In addition, our Amisulpride API acquired CEP, UK GMP & USDMF.
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