(1S,2S)-(-)-1,2-Diaminocyclohexane D-tartrate

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
Stereocentres: S, S, S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H312 Harmful in contact with skin95.1% of notifiers
H332 Harmful if inhaled95.1% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

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

3 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)
(1S,2S)-1,2-Diaminocyclohexane D-tartaric acid salt

Work with (1S,2S)-(-)-1,2-Diaminocyclohexane D-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, enantiomer D-Tartaric acid147-71-7Free acid DL-Tartaric acid133-37-9Free acid 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined (-)-trans-1,2-Diaminocyclohexane20439-47-8Free base, enantiomer trans-1,2-Diaminocyclohexane1121-22-8Free base 1,2-Diaminocyclohexane694-83-7Free base, stereo not defined (+)-trans-1,2-Diaminocyclohexane21436-03-3Free base cis-1,2-Cyclohexanediamine1436-59-5Free base, diastereomer (R,R)-1,2-Diammoniumcyclohexane mono-(+)-tartrate39961-95-0Enantiomer Potassium bitartrate868-14-4Salt, enantiomer N,N-Dimethylethanolamine bitartrate5988-51-2Salt, enantiomer

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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