azane;butane;phosphenous acid

C4H14NO2P — CID 173067034

IUPACazane;butane;phosphenous acid
SMILESCCCC.N.O=PO
InChIInChI=1S/C4H10.H3N.HO2P/c1-3-4-2;;1-3-2/h3-4H2,1-2H3;1H3;(H,1,2)
InChIKeyBBNXIHHNUXMOPN-UHFFFAOYSA-N
MW139.14 g/mol
LogP2.15
Rot. Bonds1

About azane;butane;phosphenous acid

azane;butane;phosphenous acid (PubChem CID 173067034) has the molecular formula C4H14NO2P and a molecular weight of 139.14 g/mol. Its IUPAC name is azane;butane;phosphenous acid.

Molecular Properties

Compound Nameazane;butane;phosphenous acid
PubChem CID173067034
Molecular FormulaC4H14NO2P
Molecular Weight139.14 g/mol
Exact Mass139.08
IUPAC Nameazane;butane;phosphenous acid
SMILESCCCC.N.O=PO
InChIInChI=1S/C4H10.H3N.HO2P/c1-3-4-2;;1-3-2/h3-4H2,1-2H3;1H3;(H,1,2)
InChIKeyBBNXIHHNUXMOPN-UHFFFAOYSA-N
XLogP2.15
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.14
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 67895311
zinc;butane;ethane;phosphenous acid
CID 174595531
azane;butane
CID 18518846
phosphenous acid;tetraethylazanium
CID 14943914
phosphenous acid;triethylazanium;hydrate
CID 131728704
barium(2+);phosphenous acid
CID 118984384
aluminum phosphenous acid
CID 118984368
phosphenous acid;tantalum(5+)
CID 161242167
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CID 172758408

Frequently Asked Questions

What is the IUPAC name of azane;butane;phosphenous acid?
The IUPAC name of azane;butane;phosphenous acid (CID 173067034) is azane;butane;phosphenous acid.
What is the SMILES notation for azane;butane;phosphenous acid?
The canonical SMILES for azane;butane;phosphenous acid is CCCC.N.O=PO.
What is the InChIKey of azane;butane;phosphenous acid?
The InChIKey is BBNXIHHNUXMOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.H3N.HO2P/c1-3-4-2;;1-3-2/h3-4H2,1-2H3;1H3;(H,1,2).
What are the key properties of azane;butane;phosphenous acid?
azane;butane;phosphenous acid has a molecular weight of 139.14 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butane;phosphenous acid is sourced from PubChem (CID 173067034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).