3-aminopropyl(methyl)phosphinic acid chloride

C4H12ClNO2P- — CID 53346869

IUPAC3-aminopropyl(methyl)phosphinic acid chloride
SMILESCP(=O)(O)CCCN.[Cl-]
InChIInChI=1S/C4H12NO2P.ClH/c1-8(6,7)4-2-3-5;/h2-5H2,1H3,(H,6,7);1H/p-1
InChIKeyZZZRGSSRFFRTIE-UHFFFAOYSA-M
MW172.57 g/mol
LogP-2.76
Rot. Bonds3

About 3-aminopropyl(methyl)phosphinic acid chloride

3-aminopropyl(methyl)phosphinic acid chloride (PubChem CID 53346869) has the molecular formula C4H12ClNO2P- and a molecular weight of 172.57 g/mol. Its IUPAC name is 3-aminopropyl(methyl)phosphinic acid chloride.

Molecular Properties

Compound Name3-aminopropyl(methyl)phosphinic acid chloride
PubChem CID53346869
Molecular FormulaC4H12ClNO2P-
Molecular Weight172.57 g/mol
Exact Mass172.03
IUPAC Name3-aminopropyl(methyl)phosphinic acid chloride
SMILESCP(=O)(O)CCCN.[Cl-]
InChIInChI=1S/C4H12NO2P.ClH/c1-8(6,7)4-2-3-5;/h2-5H2,1H3,(H,6,7);1H/p-1
InChIKeyZZZRGSSRFFRTIE-UHFFFAOYSA-M
XLogP-2.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 5-2.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl(methyl)phosphinic acid
CID 10909622
aminomethyl(methyl)phosphinic acid;butan-1-amine
CID 139413899
ethane-1,2-diamine;methylphosphonic acid
CID 19349473
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
4-phosphonobutylphosphonic acid;propane-1,3-diamine
CID 18949670
3-aminopropylphosphonic acid;dihydroxy(oxo)phosphanium
CID 88769819
hexan-1-amine;methyl(methylaminomethyl)phosphinic acid
CID 139413958
methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 139843889
methyl(propyl)phosphinic acid
CID 10992780
aminomethylphosphonic acid;butane-1,4-diamine
CID 159694397
methylphosphonic acid;bis(4,4,4-trifluorobutan-1-amine)
CID 171929841
[3-amino-3-(4-chlorophenyl)propyl]-hydroxy-oxophosphanium;3-aminopropyl(methyl)phosphinic acid
CID 162053853

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl(methyl)phosphinic acid chloride?
The IUPAC name of 3-aminopropyl(methyl)phosphinic acid chloride (CID 53346869) is 3-aminopropyl(methyl)phosphinic acid chloride.
What is the SMILES notation for 3-aminopropyl(methyl)phosphinic acid chloride?
The canonical SMILES for 3-aminopropyl(methyl)phosphinic acid chloride is CP(=O)(O)CCCN.[Cl-].
What is the InChIKey of 3-aminopropyl(methyl)phosphinic acid chloride?
The InChIKey is ZZZRGSSRFFRTIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12NO2P.ClH/c1-8(6,7)4-2-3-5;/h2-5H2,1H3,(H,6,7);1H/p-1.
What are the key properties of 3-aminopropyl(methyl)phosphinic acid chloride?
3-aminopropyl(methyl)phosphinic acid chloride has a molecular weight of 172.57 g/mol, XLogP of -2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl(methyl)phosphinic acid chloride is sourced from PubChem (CID 53346869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).