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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 13371-17-0, Butyl(triphenyl)phosphanium;chloride, Phosphonium, butyltriphenyl-, chloride, Butyl(triphenyl)phosphonium chloride, Phosphonium, butyltriphenyl-, chloride (1:1), Butyltriphenyl phosphonium chloride

Molecular Formula

C₂₂H₂₄ClP

Molecular Weight

354.8 g/mol

InChI Key

MFIUDWFSVDFDDY-UHFFFAOYSA-M

1 2D Structure

Butyltriphenylphosphonium Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

butyl(triphenyl)phosphanium;chloride

2.1.2 InChI

InChI=1S/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1

2.1.3 InChI Key

MFIUDWFSVDFDDY-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 13371-17-0

2. Butyl(triphenyl)phosphanium;chloride

3. Phosphonium, Butyltriphenyl-, Chloride

4. Butyl(triphenyl)phosphonium Chloride

5. Phosphonium, Butyltriphenyl-, Chloride (1:1)

6. Butyltriphenyl Phosphonium Chloride

7. Triphenylbutylphosphonium Chloride

8. Butyl(triphenyl)phosphanium Chloride

9. Einecs 236-443-3

10. (1-butyl)triphenylphosphonium Chloride

11. Schembl159490

12. Dtxsid30884597

13. Butyl-triphenyl-phosphanium Chloride

14. Mfcd00040546

15. Akos015915163

16. Db-050387

17. B5730

18. Ft-0604872

19. D89162

20. A806665

21. J-006432

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₄ClP
Molecular Weight	354.8 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	354.1304155 g/mol
Monoisotopic Mass	354.1304155 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	273
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