(R,R)-1,2-Diammoniumcyclohexane mono-(+)-tartrate

C10H20N2O6CAS 39961-95-0264.28 g/mol

Open in Covalent MOL file
H2NH2NOHOOHOHOOH
AlcoholCarboxylic acidPrimary amine

Properties

Molecular formula
C10H20N2O6
Molar mass
264.28 g/mol
Exact mass
264.1321 Da
Melting point
252.5–256 °C
logP
-1.91Crippen estimate
Polar surface area
167.1 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
3
Stereocentres
R, R, R, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
39961-95-0
SMILES
N[C@@H]1CCCC[C@H]1N.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey
GDOTUTAQOJUZOF-ZXZVGZDWSA-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-/m11/s1

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

Names and synonyms

11 names
  • 1,2-Cyclohexanediamine, (1R,2R)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
  • 1,2-Cyclohexanediamine, (1R-trans)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1)
  • trans-(R,R)-1,2-Cyclohexanediammonium (+)-tartrate
  • (R,R)-1,2-Diaminocyclohexane tartrate (1:1)
  • (1R,2R)-Diaminocyclohexane L-tartrate
  • (R,R)-1,2-Diaminocyclohexane L-tartrate
  • (R,R)-1,2-Cyclohexanediamine (+)-tartrate (1:1)
  • (R,R)-1,2-Cyclohexanediamine (+)-tartrate
  • (1R,2R)-1,2-Diaminocyclohexane L-tartaric acid salt
  • (1R,2R)-1,2-Cyclohexanediamine L-tartrate
  • (R,R)-Cyclohexane-1,2-diammonium (R,R)-tartrate

Work with (R,R)-1,2-Diammoniumcyclohexane mono-(+)-tartrate

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.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined (-)-trans-1,2-Diaminocyclohexane20439-47-8Free base trans-1,2-Diaminocyclohexane1121-22-8Free base, enantiomer 1,2-Diaminocyclohexane694-83-7Free base, stereo not defined (+)-trans-1,2-Diaminocyclohexane21436-03-3Free base, enantiomer cis-1,2-Cyclohexanediamine1436-59-5Free base, diastereomer (1S,2S)-(-)-1,2-Diaminocyclohexane D-tartrate67333-70-4Enantiomer Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt

Similar compounds

(1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128052-92-652 % similar cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128110-37-252 % similar Mucic acid526-99-850 % similar Saccharic acid87-73-050 % similar 3-Amino-2-hydroxy-4-phenylbutanoic acid59554-14-249 % similar (αS)-α-Aminocyclopentaneacetic acid2521-84-848 % similar (αR)-α-Aminocyclopentaneacetic acid2521-86-048 % similar (αS)-α-Aminocyclohexaneacetic acid14328-51-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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