tridecylazanium;chloride;hydrate

C13H32ClNO — CID 139080710

IUPACtridecylazanium;chloride;hydrate
SMILESCCCCCCCCCCCCC[NH3+].O.[Cl-]
InChIInChI=1S/C13H29N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;;/h2-14H2,1H3;1H;1H2
InChIKeyUTRMRNIIWBPFHD-UHFFFAOYSA-N
MW253.86 g/mol
LogP-0.28
Rot. Bonds11

About tridecylazanium;chloride;hydrate

tridecylazanium;chloride;hydrate (PubChem CID 139080710) has the molecular formula C13H32ClNO and a molecular weight of 253.86 g/mol. Its IUPAC name is tridecylazanium;chloride;hydrate.

Molecular Properties

Compound Nametridecylazanium;chloride;hydrate
PubChem CID139080710
Molecular FormulaC13H32ClNO
Molecular Weight253.86 g/mol
Exact Mass253.22
IUPAC Nametridecylazanium;chloride;hydrate
SMILESCCCCCCCCCCCCC[NH3+].O.[Cl-]
InChIInChI=1S/C13H29N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;;/h2-14H2,1H3;1H;1H2
InChIKeyUTRMRNIIWBPFHD-UHFFFAOYSA-N
XLogP-0.28
TPSA59.14 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.86
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dodecylazanium;bromide;hydrate
CID 139078665
tris(octadecylazanium);tribromide
CID 141071881
undecylazanium bromide
CID 87480687
tetratriacontylazanium bromide
CID 141191350
dodecylazanium;hydrochloride
CID 22568612
dodecylazanium tetrafluoroborate
CID 141181929
heptane;hydrate
CID 57468513
undecane chloride
CID 19736895
octylazanium;carbonate
CID 141329834
ethane;1-fluorohexane;hexylazanium
CID 145193616
octylazanium;sulfate
CID 87714647
hexylazanium;sulfate
CID 88757421

Frequently Asked Questions

What is the IUPAC name of tridecylazanium;chloride;hydrate?
The IUPAC name of tridecylazanium;chloride;hydrate (CID 139080710) is tridecylazanium;chloride;hydrate.
What is the SMILES notation for tridecylazanium;chloride;hydrate?
The canonical SMILES for tridecylazanium;chloride;hydrate is CCCCCCCCCCCCC[NH3+].O.[Cl-].
What is the InChIKey of tridecylazanium;chloride;hydrate?
The InChIKey is UTRMRNIIWBPFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;;/h2-14H2,1H3;1H;1H2.
What are the key properties of tridecylazanium;chloride;hydrate?
tridecylazanium;chloride;hydrate has a molecular weight of 253.86 g/mol, XLogP of -0.28, 11 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridecylazanium;chloride;hydrate is sourced from PubChem (CID 139080710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).