butan-2-ylphosphane;hydrochloride

C4H12ClP — CID 174764071

IUPACbutan-2-ylphosphane;hydrochloride
SMILESCCC(C)P.Cl
InChIInChI=1S/C4H11P.ClH/c1-3-4(2)5;/h4H,3,5H2,1-2H3;1H
InChIKeySTSWYIWWVQEGNI-UHFFFAOYSA-N
MW126.57 g/mol
LogP2.08
Rot. Bonds1

About butan-2-ylphosphane;hydrochloride

butan-2-ylphosphane;hydrochloride (PubChem CID 174764071) has the molecular formula C4H12ClP and a molecular weight of 126.57 g/mol. Its IUPAC name is butan-2-ylphosphane;hydrochloride.

Molecular Properties

Compound Namebutan-2-ylphosphane;hydrochloride
PubChem CID174764071
Molecular FormulaC4H12ClP
Molecular Weight126.57 g/mol
Exact Mass126.04
IUPAC Namebutan-2-ylphosphane;hydrochloride
SMILESCCC(C)P.Cl
InChIInChI=1S/C4H11P.ClH/c1-3-4(2)5;/h4H,3,5H2,1-2H3;1H
InChIKeySTSWYIWWVQEGNI-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.57
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-ylphosphane;hydrochloride?
The IUPAC name of butan-2-ylphosphane;hydrochloride (CID 174764071) is butan-2-ylphosphane;hydrochloride.
What is the SMILES notation for butan-2-ylphosphane;hydrochloride?
The canonical SMILES for butan-2-ylphosphane;hydrochloride is CCC(C)P.Cl.
What is the InChIKey of butan-2-ylphosphane;hydrochloride?
The InChIKey is STSWYIWWVQEGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11P.ClH/c1-3-4(2)5;/h4H,3,5H2,1-2H3;1H.
What are the key properties of butan-2-ylphosphane;hydrochloride?
butan-2-ylphosphane;hydrochloride has a molecular weight of 126.57 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylphosphane;hydrochloride is sourced from PubChem (CID 174764071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).