N-decyl triphenylphosphonium bromide

Catalog Number	ACM32339438-1
CAS	32339-43-8
Structure
Synonyms	Triphenyldecylphosphonium·bromide
IUPAC Name	Decyl(triphenyl)phosphanium;bromide
Molecular Weight	483.46
Molecular Formula	C28H36BrP
Canonical SMILES	CCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI	InChI=1S/C28H36P.BrH/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28;/h9-17,19-24H,2-8,18,25H2,1H3;1H/q+1;/p-1
InChI Key	GVPLMQGXUUHCSB-UHFFFAOYSA-M
Melting Point	90 °C
Purity	98%
Appearance	Solid
Complexity	353
Covalently-Bonded Unit Count	2
Exact Mass	482.1738
Heavy Atom Count	30
Isomeric SMILES	CCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Monoisotopic Mass	482.1738
Topological Polar Surface Area	0 Ų

Q&A

What is the IUPAC name of the compound?

The IUPAC name is decyl(triphenyl)phosphanium;bromide.

What is the molecular formula of the compound?

The molecular formula is C28H36BrP.

What is the exact mass of the compound?

The exact mass is 482.17380.

How many heavy atoms are present in the compound?

There are 30 heavy atoms in the compound.

How many rotatable bonds does the compound have?

The compound has 12 rotatable bonds.

How many covalently-bonded units are present in the compound?

There are 2 covalently-bonded units.

Does the compound have any defined atom stereocenters?

No, the compound does not have any defined atom stereocenters.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation is CCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

What is the CAS number of the compound?

The CAS number is 32339-43-8.

What is the Common Synonym for the compound?

A common synonym for the compound is Decyltriphenylphosphonium bromide.