dichlorophosphane;N-ethylethanamine

C4H12Cl2NP — CID 22052786

IUPACdichlorophosphane;N-ethylethanamine
SMILESCCNCC.ClPCl
InChIInChI=1S/C4H11N.Cl2HP/c1-3-5-4-2;1-3-2/h5H,3-4H2,1-2H3;3H
InChIKeyYURNSMIUXJGZEW-UHFFFAOYSA-N
MW176.03 g/mol
LogP2.59
Rot. Bonds2

About dichlorophosphane;N-ethylethanamine

dichlorophosphane;N-ethylethanamine (PubChem CID 22052786) has the molecular formula C4H12Cl2NP and a molecular weight of 176.03 g/mol. Its IUPAC name is dichlorophosphane;N-ethylethanamine.

Molecular Properties

Compound Namedichlorophosphane;N-ethylethanamine
PubChem CID22052786
Molecular FormulaC4H12Cl2NP
Molecular Weight176.03 g/mol
Exact Mass175.01
IUPAC Namedichlorophosphane;N-ethylethanamine
SMILESCCNCC.ClPCl
InChIInChI=1S/C4H11N.Cl2HP/c1-3-5-4-2;1-3-2/h5H,3-4H2,1-2H3;3H
InChIKeyYURNSMIUXJGZEW-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.03
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlorophosphane;N-ethylethanamine?
The IUPAC name of dichlorophosphane;N-ethylethanamine (CID 22052786) is dichlorophosphane;N-ethylethanamine.
What is the SMILES notation for dichlorophosphane;N-ethylethanamine?
The canonical SMILES for dichlorophosphane;N-ethylethanamine is CCNCC.ClPCl.
What is the InChIKey of dichlorophosphane;N-ethylethanamine?
The InChIKey is YURNSMIUXJGZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.Cl2HP/c1-3-5-4-2;1-3-2/h5H,3-4H2,1-2H3;3H.
What are the key properties of dichlorophosphane;N-ethylethanamine?
dichlorophosphane;N-ethylethanamine has a molecular weight of 176.03 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorophosphane;N-ethylethanamine is sourced from PubChem (CID 22052786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).