chempirical

2,5-Diamino-2-(difluoromethyl)pentanoic acid hydrate hydrochloride

C6H15ClF2N2O3CAS 96020-91-6236.64 g/mol

Open in Covalent MOL file
HClH2NNH2OOHFFH2O
Alkyl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C6H15ClF2N2O3
Molar mass
236.64 g/mol
Exact mass
236.0739 Da
logP
-0.63Crippen estimate
Polar surface area
120.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5

Identifiers

CAS number
96020-91-6
SMILES
Cl.NCCCC(N)(C(=O)O)C(F)F.O
InChIKey
FJPAMFNRCFEGSD-UHFFFAOYSA-N
InChI
InChI=1S/C6H12F2N2O2.ClH.H2O/c7-4(8)6(10,5(11)12)2-1-3-9;;/h4H,1-3,9-10H2,(H,11,12);1H;1H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Ornithine, 2-(difluoromethyl)-, hydrochloride, hydrate (1:1:1)
  • DL-Ornithine, 2-(difluoromethyl)-, monohydrochloride, monohydrate
  • Ornithine, 2-(difluoromethyl)-, monohydrochloride, monohydrate

Work with 2,5-Diamino-2-(difluoromethyl)pentanoic acid hydrate hydrochloride

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

Eflornithine hydrochloride68278-23-992 % similar 1-Aminocyclobutanecarboxylic acid hydrochloride98071-16-040 % similar 1-Amino-1-cyclopropanecarboxylic acid hydrochloride68781-13-540 % similar 5-Aminovaleric acid hydrochloride627-95-237 % similar 7-Aminoheptanoic acid hydrochloride62643-56-536 % similar Lysine dihydrochloride657-26-136 % similar L-Lysine monohydrochloride657-27-236 % similar DL-Lysine hydrochloride70-53-136 % similar

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

Elsewhere

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