chempirical

1-Propanamine, 3,3′-[oxybis(2,1-ethanediyloxy)]bis-, (2Z)-2-butenedioate (1:2)

C14H28N2O7CAS 1629579-82-3336.38 g/mol

Open in Covalent MOL file
H2NOOONH2OHOOOH
AlkeneCarboxylic acidEtherPrimary amine

Properties

Molecular formula
C14H28N2O7
Molar mass
336.38 g/mol
Exact mass
336.1897 Da
logP
-0.55Crippen estimate
Polar surface area
154.3 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
14

Identifiers

CAS number
1629579-82-3
SMILES
NCCCOCCOCCOCCCN.O=C(O)/C=CC(=O)O
InChIKey
AHCLXVDSJKEGCO-BTJKTKAUSA-N
InChI
InChI=1S/C10H24N2O3.C4H4O4/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12;5-3(6)1-2-4(7)8/h1-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

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

Work with 1-Propanamine, 3,3′-[oxybis(2,1-ethanediyloxy)]bis-, (2Z)-2-butenedioate (1:2)

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

4,7,10-Trioxatridecane-1,13-diamine4246-51-954 % similar Di-β-aminopropionitrile fumarate2079-89-249 % similar 4,9-Dioxa-1,12-dodecanediamine7300-34-748 % similar Maleic acid110-16-746 % similar Fumaric acid110-17-846 % similar Poly(maleic acid)26099-09-246 % similar 27-Amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoic acid756526-04-243 % similar Monobutyl maleate925-21-341 % similar

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

Elsewhere

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