azane;butyl dihydrogen phosphate;hydrochloride

C4H15ClNO4P — CID 146307960

IUPACazane;butyl dihydrogen phosphate;hydrochloride
SMILESCCCCOP(=O)(O)O.Cl.N
InChIInChI=1S/C4H11O4P.ClH.H3N/c1-2-3-4-8-9(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);1H;1H3
InChIKeyAYPNPOYBPGKIFM-UHFFFAOYSA-N
MW207.59 g/mol
LogP1.48
Rot. Bonds4

About azane;butyl dihydrogen phosphate;hydrochloride

azane;butyl dihydrogen phosphate;hydrochloride (PubChem CID 146307960) has the molecular formula C4H15ClNO4P and a molecular weight of 207.59 g/mol. Its IUPAC name is azane;butyl dihydrogen phosphate;hydrochloride.

Molecular Properties

Compound Nameazane;butyl dihydrogen phosphate;hydrochloride
PubChem CID146307960
Molecular FormulaC4H15ClNO4P
Molecular Weight207.59 g/mol
Exact Mass207.04
IUPAC Nameazane;butyl dihydrogen phosphate;hydrochloride
SMILESCCCCOP(=O)(O)O.Cl.N
InChIInChI=1S/C4H11O4P.ClH.H3N/c1-2-3-4-8-9(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);1H;1H3
InChIKeyAYPNPOYBPGKIFM-UHFFFAOYSA-N
XLogP1.48
TPSA101.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.59
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;butyl dihydrogen phosphate
CID 173333807
azane;octadecyl dihydrogen phosphate
CID 87905459
butyl dihydrogen phosphate;2-methylprop-1-ene
CID 162187619
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
dodecyl dihydrogen phosphate;indigane
CID 173026750
CID 170842594
CID 170842594
CID 170843971
CID 170843971

Frequently Asked Questions

What is the IUPAC name of azane;butyl dihydrogen phosphate;hydrochloride?
The IUPAC name of azane;butyl dihydrogen phosphate;hydrochloride (CID 146307960) is azane;butyl dihydrogen phosphate;hydrochloride.
What is the SMILES notation for azane;butyl dihydrogen phosphate;hydrochloride?
The canonical SMILES for azane;butyl dihydrogen phosphate;hydrochloride is CCCCOP(=O)(O)O.Cl.N.
What is the InChIKey of azane;butyl dihydrogen phosphate;hydrochloride?
The InChIKey is AYPNPOYBPGKIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P.ClH.H3N/c1-2-3-4-8-9(5,6)7;;/h2-4H2,1H3,(H2,5,6,7);1H;1H3.
What are the key properties of azane;butyl dihydrogen phosphate;hydrochloride?
azane;butyl dihydrogen phosphate;hydrochloride has a molecular weight of 207.59 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butyl dihydrogen phosphate;hydrochloride is sourced from PubChem (CID 146307960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).