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Phosphazene base P4-t-Bu solution

CAT: 0024-sc-258013ASize: 5 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-258013ASize:5 mL
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CAS Number
111324-04-0

Chemical Information

N'''-(1,1-Dimethylethyl)-N,N',N''-tris(tris(dimethylamino)phosphoranylidene)phosphorimidic triamide
CAS Number111324-04-0
PubChem CID4339838
IUPAC NameN-[[tert-butylimino-bis[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]imino-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine
Molecular FormulaC22H63N13P4
Molecular Weight633.7
XLogP3.7
Topological Polar Surface Area78.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count13
Heavy Atom Count39
Formal Charge0
Complexity820
SMILES
CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C
InChI
InChI=1S/C22H63N13P4/c1-22(2,3)23-36(24-37(27(4)5,28(6)7)29(8)9,25-38(30(10)11,31(12)13)32(14)15)26-39(33(16)17,34(18)19)35(20)21/h1-21H3
InChIKey
NSRBCQCXZAYQHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'''-(1,1-Dimethylethyl)-N,N',N''-tris(tris(dimethylamino)phosphoranylidene)phosphorimidic triamide
CAS: 111324-04-0
CID: 4339838
Formula: C22H63N13P4
MW: 633.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight633.7
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count13
Exact Mass633.42798706
Monoisotopic Mass633.42798706
Topological Polar Surface Area78.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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