chloromethyl(trimethoxy)azanium chloride

C4H11Cl2NO3 — CID 174710095

IUPACchloromethyl(trimethoxy)azanium chloride
SMILESCO[N+](CCl)(OC)OC.[Cl-]
InChIInChI=1S/C4H11ClNO3.ClH/c1-7-6(4-5,8-2)9-3;/h4H2,1-3H3;1H/q+1;/p-1
InChIKeyIPLZHWLUXGFRGB-UHFFFAOYSA-M
MW192.04 g/mol
LogP-2.31
Rot. Bonds4

About chloromethyl(trimethoxy)azanium chloride

chloromethyl(trimethoxy)azanium chloride (PubChem CID 174710095) has the molecular formula C4H11Cl2NO3 and a molecular weight of 192.04 g/mol. Its IUPAC name is chloromethyl(trimethoxy)azanium chloride.

Molecular Properties

Compound Namechloromethyl(trimethoxy)azanium chloride
PubChem CID174710095
Molecular FormulaC4H11Cl2NO3
Molecular Weight192.04 g/mol
Exact Mass191.01
IUPAC Namechloromethyl(trimethoxy)azanium chloride
SMILESCO[N+](CCl)(OC)OC.[Cl-]
InChIInChI=1S/C4H11ClNO3.ClH/c1-7-6(4-5,8-2)9-3;/h4H2,1-3H3;1H/q+1;/p-1
InChIKeyIPLZHWLUXGFRGB-UHFFFAOYSA-M
XLogP-2.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 5-2.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethyl(trimethoxy)azanium chloride?
The IUPAC name of chloromethyl(trimethoxy)azanium chloride (CID 174710095) is chloromethyl(trimethoxy)azanium chloride.
What is the SMILES notation for chloromethyl(trimethoxy)azanium chloride?
The canonical SMILES for chloromethyl(trimethoxy)azanium chloride is CO[N+](CCl)(OC)OC.[Cl-].
What is the InChIKey of chloromethyl(trimethoxy)azanium chloride?
The InChIKey is IPLZHWLUXGFRGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11ClNO3.ClH/c1-7-6(4-5,8-2)9-3;/h4H2,1-3H3;1H/q+1;/p-1.
What are the key properties of chloromethyl(trimethoxy)azanium chloride?
chloromethyl(trimethoxy)azanium chloride has a molecular weight of 192.04 g/mol, XLogP of -2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl(trimethoxy)azanium chloride is sourced from PubChem (CID 174710095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).