L-2,4-Diaminobutyric acid dihydrochloride

C₄H₁₂Cl₂N₂O₂CAS 1883-09-6191.05 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₁₂Cl₂N₂O₂
Molar mass: 191.05 g/mol
Exact mass: 190.0276 Da
Melting point: 195–196 °C
logP: -0.41Crippen estimate
Polar surface area: 89.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1883-09-6

SMILES

Cl.Cl.NCC[C@H](N)C(=O)O

InChIKey

CKAAWCHIBBNLOJ-QTNFYWBSSA-N

InChI

InChI=1S/C4H10N2O2.2ClH/c5-2-1-3(6)4(7)8;;/h3H,1-2,5-6H2,(H,7,8);2*1H/t3-;;/m0../s1

Weigh it out

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

Names and synonyms

6 names

Butanoic acid, 2,4-diamino-, hydrochloride (1:2), (2S)-
Butyric acid, 2,4-diamino-, dihydrochloride, L-
Butanoic acid, 2,4-diamino-, dihydrochloride, (S)-
Butanoic acid, 2,4-diamino-, dihydrochloride, (2S)-
L-2,4-Diaminobutanoic acid dihydrochloride
(2S)-2,4-Diaminobutanoic acid dihydrochloride

Work with L-2,4-Diaminobutyric acid dihydrochloride

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

L-2,4-Diaminobutyric acid1758-80-188 % similar 2,5-Diaminopentanoic acid hydrochloride1069-31-479 % similar (R)-Ornithine hydrochloride16682-12-579 % similar Ornithine hydrochloride3184-13-279 % similar Ornithine dihydrochloride6211-16-179 % similar Lysine hydrochloride10098-89-277 % similar Lysine dihydrochloride657-26-177 % similar L-Lysine monohydrochloride657-27-277 % similar

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

Same formula

2,4-Diaminobutyric acid dihydrochloride65427-54-5

Elsewhere

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