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[3-(dimethylamino)propyl]triphenylphosphanium hydrobromide bromide

[3-(dimethylamino)propyl]triphenylphosphanium hydrobromide bromide

CAS: 27710-82-3

Formula: C23H28Br2NP

SMILES: Br.[Br-].CN(C)CCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: [3-(dimethylamino)propyl]triphenylphosphanium hydrobromide bromide

InChI: InChI=1S/C23H27NP.2BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;;/h3-11,13-18H,12,19-20H2,1-2H3;2*1H/q+1;;/p-1

Composition: C (54.25%), H (5.54%), Br (31.38%), N (2.75%), P (6.08%)

Molar Mass: 509.266

Atom Count: 55

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 507.032613
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey NEQVFHFOWYYPBS-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity 110.11
Topological Polar Surface Area 3.24
Polarizability 43.34
Ring Count 3
Rotatable Bond Count 7

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