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Chemistry

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Also known as: 24358-65-4, Diisopromine hcl, Agofell, Bilagol, (3,3-diphenylpropyl)diisopropylammonium chloride, 9e8en393al

Molecular Formula

C₂₁H₃₀ClN

Molecular Weight

331.9 g/mol

InChI Key

ZYMHFUWAJIWDKD-UHFFFAOYSA-N

FDA UNII

9E8EN393AL

1 2D Structure

Diisopromine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,3-diphenyl-N,N-di(propan-2-yl)propan-1-amine;hydrochloride

2.1.2 InChI

InChI=1S/C21H29N.ClH/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-14,17-18,21H,15-16H2,1-4H3;1H

2.1.3 InChI Key

ZYMHFUWAJIWDKD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)N(CCC(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C.Cl

2.2 Other Identifiers

2.2.1 UNII

9E8EN393AL

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 24358-65-4

2. Diisopromine Hcl

3. Agofell

4. Bilagol

5. (3,3-diphenylpropyl)diisopropylammonium Chloride

6. 9e8en393al

7. N,n-diisopropyl-3,3-diphenylpropylamine Hydrochloride

8. 3,3-diphenyl-n,n-di(propan-2-yl)propan-1-amine;hydrochloride

9. Megabyl

10. Polagol

11. Do-bil

12. Unii-9e8en393al

13. Einecs 246-201-9

14. Diisoprominehydrochloride

15. R 253

16. Diisopromine, Hydrochloride

17. Chembl2106314

18. Schembl11582569

19. Dtxsid70947216

20. Akos015994625

21. Diisopromine Hydrochloride [mi]

22. Hs-0072

23. Diisopromine Hydrochloride [mart.]

24. Diisopromine Hydrochloride [who-dd]

25. Q27272442

26. 3,3-diphenyl-n,n-di(propan-2-yl)propan-1-amine--hydrogen Chloride (1/1)

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₀ClN
Molecular Weight	331.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	331.2066777 g/mol
Monoisotopic Mass	331.2066777 g/mol
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	258
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2