azanium;chloromethane;hydroxide

CH8ClNO — CID 157417751

IUPACazanium;chloromethane;hydroxide
SMILESCCl.[NH4+].[OH-]
InChIInChI=1S/CH3Cl.H3N.H2O/c1-2;;/h1H3;1H3;1H2
InChIKeyBPAYJMMVPSMFPJ-UHFFFAOYSA-N
MW85.53 g/mol
LogP1.05
Rot. Bonds

About azanium;chloromethane;hydroxide

azanium;chloromethane;hydroxide (PubChem CID 157417751) has the molecular formula CH8ClNO and a molecular weight of 85.53 g/mol. Its IUPAC name is azanium;chloromethane;hydroxide.

Molecular Properties

Compound Nameazanium;chloromethane;hydroxide
PubChem CID157417751
Molecular FormulaCH8ClNO
Molecular Weight85.53 g/mol
Exact Mass85.03
IUPAC Nameazanium;chloromethane;hydroxide
SMILESCCl.[NH4+].[OH-]
InChIInChI=1S/CH3Cl.H3N.H2O/c1-2;;/h1H3;1H3;1H2
InChIKeyBPAYJMMVPSMFPJ-UHFFFAOYSA-N
XLogP1.05
TPSA66.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.53
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azanium;chloromethane;hydroxide?
The IUPAC name of azanium;chloromethane;hydroxide (CID 157417751) is azanium;chloromethane;hydroxide.
What is the SMILES notation for azanium;chloromethane;hydroxide?
The canonical SMILES for azanium;chloromethane;hydroxide is CCl.[NH4+].[OH-].
What is the InChIKey of azanium;chloromethane;hydroxide?
The InChIKey is BPAYJMMVPSMFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3Cl.H3N.H2O/c1-2;;/h1H3;1H3;1H2.
What are the key properties of azanium;chloromethane;hydroxide?
azanium;chloromethane;hydroxide has a molecular weight of 85.53 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;chloromethane;hydroxide is sourced from PubChem (CID 157417751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).