amino hexyl hydrogen phosphate

C6H16NO4P — CID 57238608

IUPACamino hexyl hydrogen phosphate
SMILESCCCCCCOP(=O)(O)ON
InChIInChI=1S/C6H16NO4P/c1-2-3-4-5-6-10-12(8,9)11-7/h2-7H2,1H3,(H,8,9)
InChIKeyIGOBLZNFHQINAX-UHFFFAOYSA-N
MW197.17 g/mol
LogP1.57
Rot. Bonds7

About amino hexyl hydrogen phosphate

amino hexyl hydrogen phosphate (PubChem CID 57238608) has the molecular formula C6H16NO4P and a molecular weight of 197.17 g/mol. Its IUPAC name is amino hexyl hydrogen phosphate.

Molecular Properties

Compound Nameamino hexyl hydrogen phosphate
PubChem CID57238608
Molecular FormulaC6H16NO4P
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Nameamino hexyl hydrogen phosphate
SMILESCCCCCCOP(=O)(O)ON
InChIInChI=1S/C6H16NO4P/c1-2-3-4-5-6-10-12(8,9)11-7/h2-7H2,1H3,(H,8,9)
InChIKeyIGOBLZNFHQINAX-UHFFFAOYSA-N
XLogP1.57
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
decyl propyl hydrogen phosphate
CID 87587050
didodecyl hydrogen phosphate;nickel
CID 87136164
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
6-aminohexyl hexadecyl hydrogen phosphate
CID 71341995
methyl pentadecyl hydrogen phosphate
CID 175295583
methyl octyl hydrogen phosphate
CID 13032455

Frequently Asked Questions

What is the IUPAC name of amino hexyl hydrogen phosphate?
The IUPAC name of amino hexyl hydrogen phosphate (CID 57238608) is amino hexyl hydrogen phosphate.
What is the SMILES notation for amino hexyl hydrogen phosphate?
The canonical SMILES for amino hexyl hydrogen phosphate is CCCCCCOP(=O)(O)ON.
What is the InChIKey of amino hexyl hydrogen phosphate?
The InChIKey is IGOBLZNFHQINAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO4P/c1-2-3-4-5-6-10-12(8,9)11-7/h2-7H2,1H3,(H,8,9).
What are the key properties of amino hexyl hydrogen phosphate?
amino hexyl hydrogen phosphate has a molecular weight of 197.17 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino hexyl hydrogen phosphate is sourced from PubChem (CID 57238608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).