(1S,2S)-1,2-Diaminocyclohexane D-tartaric acid salt

C₁₀H₂₀N₂O₆CAS 67333-70-4264.28 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Primary Amine

Properties

Molecular formula: C₁₀H₂₀N₂O₆
Molar mass: 264.28 g/mol
Exact mass: 264.1321 Da
Melting point: 283–284 °C
logP: -1.91Crippen estimate
Polar surface area: 167.1 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 3

Identifiers

CAS number

67333-70-4

SMILES

N[C@H]1CCCC[C@@H]1N.O=C(O)[C@@H](O)[C@H](O)C(=O)O

InChIKey

GDOTUTAQOJUZOF-SCDVTJNCSA-N

InChI

InChI=1S/C6H14N2.C4H6O6/c7-5-3-1-2-4-6(5)8;5-1(3(7)8)2(6)4(9)10/h5-6H,1-4,7-8H2;1-2,5-6H,(H,7,8)(H,9,10)/t5-,6-;1-,2-/m00/s1

Weigh it out

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

Names and synonyms

2 names

1,2-Cyclohexanediamine, (1S,2S)-, (2S,3S)-2,3-dihydroxybutanedioate (1:1)
1,2-Cyclohexanediamine, (1S-trans)-, [S-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)

Work with (1S,2S)-1,2-Diaminocyclohexane D-tartaric acid salt

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

Same formula

(R,R)-1,2-Diammoniumcyclohexane mono-(+)-tartrate39961-95-0

Elsewhere

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