chempirical

N,N'-Diallyltartardiamide

C10H16N2O4CAS 58477-85-3228.25 g/mol

Open in Covalent MOL file
NHOOHOHONH
AlcoholAlkene

Properties

Molecular formula
C10H16N2O4
Molar mass
228.25 g/mol
Exact mass
228.1110 Da
logP
-0.01Crippen estimate
Polar surface area
105.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
7
Stereocentres
R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
58477-85-3
SMILES
C=CCN=C(O)[C@H](O)[C@@H](O)C(O)=NCC=C
InChIKey
ZRKLEAHGBNDKHM-HTQZYQBOSA-N
InChI
InChI=1S/C10H16N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h3-4,7-8,13-14H,1-2,5-6H2,(H,11,15)(H,12,16)/t7-,8-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • N,N′-Diallyltartardiamide
  • Butanediamide, 2,3-dihydroxy-N1,N4-di-2-propen-1-yl-, (2R,3R)-
  • Butanediamide, 2,3-dihydroxy-N,N′-di-2-propenyl-, [R-(R*,R*)]-
  • Butanediamide, 2,3-dihydroxy-N,N′-di-2-propenyl-, (2R,3R)-
  • (2R,3R)-2,3-Dihydroxy-N1,N4-di-2-propen-1-ylbutanediamide
  • N,N′-Diallyl-L-tartardiamide
  • (+)-N,N′-Diallyltartardiamide
  • (+)-N,N′-Diallyltartramide
  • N,N′-Diallyltartramide

Work with N,N'-Diallyltartardiamide

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

N,N'-Di-2-propen-1-ylurea1801-72-547 % similar 4-Allylthiosemicarbazide3766-55-034 % similar 1-Allyl-3-(2-hydroxyethyl)-2-thiourea105-81-734 % similar 1,6-Heptadien-4-ol2883-45-631 % similar

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

Same formula

Tetraacetylethylenediamine10543-57-4 tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate31140-42-8

Elsewhere

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