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

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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-

Weigh it out

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

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.

Fumaric acid110-17-8Free acid, defined stereoisomer Maleic acid110-16-7Free acid Poly(maleic acid)26099-09-2Free acid 4,7,10-Trioxatridecane-1,13-diamine4246-51-9Free base Iron(II) fumarate141-01-5Salt, defined stereoisomer Enalapril maleate76095-16-4Salt, defined stereoisomer Pyrilamine maleate59-33-6Salt Chlorpheniramine maleate113-92-8Salt Timolol maleate26921-17-5Salt, defined stereoisomer Sodium fumarate5873-57-4Salt, defined stereoisomer Clemastine fumarate14976-57-9Salt, defined stereoisomer Calcium fumarate19855-56-2Salt, defined stereoisomer

Similar compounds

4,9-Dioxa-1,12-dodecanediamine7300-34-748 % similar (2-(2-Aminoethoxy)ethoxy)acetic acid134978-97-543 % similar Amino-peg4-ch2co2H195071-49-943 % similar 27-Amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoic acid756526-04-243 % similar Alpha-amine-omega-propionic acid triethylene glycol784105-33-543 % similar Amino-PEG6-acid905954-28-143 % similar Monobutyl maleate925-21-341 % similar 3-Butoxy-1-propanamine16499-88-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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