chempirical

P-(1-(Butylamino)-1-methylethyl)phosphinic acid

C7H18NO2PCAS 17316-67-5179.20 g/mol

Open in Covalent MOL file
NHPHOOH
Secondary amine

Properties

Molecular formula
C7H18NO2P
Molar mass
179.20 g/mol
Exact mass
179.1075 Da
Melting point
219 °C
logP
1.58Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
17316-67-5
SMILES
CCCCNC(C)(C)[PH](=O)O
InChIKey
WCXWARPXYQCRPP-UHFFFAOYSA-N
InChI
InChI=1S/C7H18NO2P/c1-4-5-6-8-7(2,3)11(9)10/h8,11H,4-6H2,1-3H3,(H,9,10)

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Names and synonyms

8 names
  • P-[1-(Butylamino)-1-methylethyl]phosphinic acid
  • Phosphinic acid, P-[1-(butylamino)-1-methylethyl]-
  • Phosphinic acid, [1-(butylamino)-1-methylethyl]-
  • 1-(Butylamino)-1-methylethylphosphonous acid
  • Butaphosphan
  • Butafosfan
  • (1-Butylamino-1-methyl-ethyl)-phosphinic acid
  • [2-(Butylamino)propan-2-yl]phosphinic acid

Work with P-(1-(Butylamino)-1-methylethyl)phosphinic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibutylamine111-92-233 % similar 5-Methyl-5-nonanol33933-78-732 % similar Butylethanolamine111-75-131 % similar Methylbutylamine110-68-931 % similar Butylurea592-31-431 % similar Ethylbutylamine13360-63-930 % similar 2-Methyl-L-proline42856-71-330 % similar H-Alpha-me-D-pro-oh63399-77-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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