[3-(Methylamino)propyl]triphenylphosphonium bromide

Catalog Number

ACM145126870

CAS Number

145126-87-0

Molecular Weight

414.32

Molecular Formula

C22H25BrNP

Canonical SMILES

CNCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H25NP.BrH/c1-23-18-11-19-24(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-10,12-17,23H,11,18-19H2,1H3;1H/q+1;/p-1

InChI Key

COPZBGVEAWELFU-UHFFFAOYSA-M

Purity

97%

Storage

Storage at -4 °C (1-2weeks), longer storage period at -20 °C (1-2years)

Complexity

292

Covalently-Bonded Unit Count

2

Exact Mass

413.0908

Heavy Atom Count

25

Monoisotopic Mass

413.0908

Topological Polar Surface Area

12 Ų

• Catalog Number: ACM145126870
• CAS Number: 145126-87-0
• Molecular Weight: 414.32
• Molecular Formula: C22H25BrNP
• Canonical SMILES: CNCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
• InChI: InChI=1S/C22H25NP.BrH/c1-23-18-11-19-24(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-10,12-17,23H,11,18-19H2,1H3;1H/q+1;/p-1
• InChI Key: COPZBGVEAWELFU-UHFFFAOYSA-M
• Purity: 97%
• Storage: Storage at -4 °C (1-2weeks), longer storage period at -20 °C (1-2years)
• Complexity: 292
• Covalently-Bonded Unit Count: 2
• Exact Mass: 413.0908
• Heavy Atom Count: 25
• Monoisotopic Mass: 413.0908
• Topological Polar Surface Area: 12 Ų