2,4-Diaminobutyric acid dihydrochloride

C₄H₁₂Cl₂N₂O₂CAS 65427-54-5191.05 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: 202–204 °C (decomposes)
logP: -0.41Crippen estimate
Polar surface area: 89.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage92.7% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

65427-54-5

SMILES

Cl.Cl.NCCC(N)C(=O)O

InChIKey

CKAAWCHIBBNLOJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

2,4-Diaminobutyric acid dihydrochloride, (+-)-
Butanoic acid, 2,4-diamino-, hydrochloride (1:2)
Butanoic acid, 2,4-diamino-, dihydrochloride, (±)-
Butanoic acid, 2,4-diamino-, dihydrochloride
DL-2,4-Diaminobutyric acid dihydrochloride
NSC 41117
2,4-Diaminobutanoic acid dihydrochloride

Work with 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

L-2,4-Diaminobutyric acid1758-80-1Free base, defined stereoisomer D-2,4-Diaminobutyric acid26908-94-1Free base, defined stereoisomer L-2,4-Diaminobutyric acid dihydrochloride1883-09-6Defined stereoisomer

Similar compounds

DL-ornithine 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 DL-Lysine hydrochloride70-53-177 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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