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Phosphine sulfide, tris(dibutylaminomethyl)-

HCID 99396
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Basic information

CAS
74038-23-6
Standard SMILES
CCCCN(CCCC)CP(=S)(CN(CCCC)CCCC)CN(CCCC)CCCC
InChIKey
NUGFFXGZVJAXIW-UHFFFAOYSA-N
Molecular formula
C27H60N3PS
Average molar mass
489.8 g/mol
Monoisotopic mass
489.4245571

Names & identifiers

Preferred name
Phosphine sulfide, tris(dibutylaminomethyl)-
IUPAC
N-[bis[(dibutylamino)methyl]phosphinothioylmethyl]-N-butylbutan-1-amine
English name
Tris(dibutylaminomethyl)phosphine sulfide
Molecular formula
C27H60N3PS
Molecular weight
489.82

Names & synonyms

Phosphine sulfide, tris(dibutylaminomethyl)-74038-23-6Tris(di-N-butylaminomethyl)phosphine sulfideNSC 222427DTXSID702248771-Butanamine, N,N',N''-(phosphinothioylidynetris(methylene))tris(N-butyl-RefChem:173529DTXCID001473681-Butanamine, N,N',N''-(phosphinothioylidynetris(methylene))tris(N-butyl-(9CI)N-[bis[(dibutylamino)methyl]phosphinothioylmethyl]-N-butylbutan-1-amineNSC222427NSC-222427
Show more names
Tris(dibutylaminomethyl)phosphine sulfide1-Butanamine, N,N',N''-[phosphinothioylidynetris(methylene)]tris[N-butyl- (9CI)
WLN: 4N4&1PS&1N4&4&1N4&41-Butanamine,N',N''-[phosphinothioylidynetris(methylene)]tris[N-butyl-N,N',N''-[Phosphorothioyltris(methylene)]tris(N-butylbutan-1-amine)

Database identifiers

CAS
74038-23-6
PubChem CID
99396
DTXSID
DTXSID70224877
Nikkaji
J85.566I

Properties

Computed structural properties

XLogP
9
Topological polar surface area
41.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
24
Heavy atoms
32
Formal charge
0
Complexity
361

Physicochemical properties

Boiling point
535 · 535.0±60.0 °C(Predicted)
Density
0.927 · 0.927±0.06 g/cm3(Predicted)
pka
8.06 · 8.06±0.50(Predicted)

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