bis(2-chloropropyl)azanium chloride

C6H14Cl3N — CID 19176

IUPACbis(2-chloropropyl)azanium chloride
SMILESCC(Cl)C[NH2+]CC(C)Cl.[Cl-]
InChIInChI=1S/C6H13Cl2N.ClH/c1-5(7)3-9-4-6(2)8;/h5-6,9H,3-4H2,1-2H3;1H
InChIKeyZFUCUNRSSMVMHH-UHFFFAOYSA-N
MW206.54 g/mol
LogP-2.19
Rot. Bonds4

About bis(2-chloropropyl)azanium chloride

bis(2-chloropropyl)azanium chloride (PubChem CID 19176) has the molecular formula C6H14Cl3N and a molecular weight of 206.54 g/mol. Its IUPAC name is bis(2-chloropropyl)azanium chloride.

Molecular Properties

Compound Namebis(2-chloropropyl)azanium chloride
PubChem CID19176
Molecular FormulaC6H14Cl3N
Molecular Weight206.54 g/mol
Exact Mass205.02
IUPAC Namebis(2-chloropropyl)azanium chloride
SMILESCC(Cl)C[NH2+]CC(C)Cl.[Cl-]
InChIInChI=1S/C6H13Cl2N.ClH/c1-5(7)3-9-4-6(2)8;/h5-6,9H,3-4H2,1-2H3;1H
InChIKeyZFUCUNRSSMVMHH-UHFFFAOYSA-N
XLogP-2.19
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.54
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-chloropropyl)azanium chloride?
The IUPAC name of bis(2-chloropropyl)azanium chloride (CID 19176) is bis(2-chloropropyl)azanium chloride.
What is the SMILES notation for bis(2-chloropropyl)azanium chloride?
The canonical SMILES for bis(2-chloropropyl)azanium chloride is CC(Cl)C[NH2+]CC(C)Cl.[Cl-].
What is the InChIKey of bis(2-chloropropyl)azanium chloride?
The InChIKey is ZFUCUNRSSMVMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Cl2N.ClH/c1-5(7)3-9-4-6(2)8;/h5-6,9H,3-4H2,1-2H3;1H.
What are the key properties of bis(2-chloropropyl)azanium chloride?
bis(2-chloropropyl)azanium chloride has a molecular weight of 206.54 g/mol, XLogP of -2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloropropyl)azanium chloride is sourced from PubChem (CID 19176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).