Dimethyl pimelimidate dihydrochloride

C9H20Cl2N2O2CAS 58537-94-3259.17 g/mol

Open in Covalent MOL file
ONHNHOHClHCl

Properties

Molecular formula
C9H20Cl2N2O2
Molar mass
259.17 g/mol
Exact mass
258.0902 Da
logP
3.03Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 157 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P280, P302+P352, P321, P332+P317, P362+P364

Identifiers

CAS number
58537-94-3
SMILES
COC(=N)CCCCCC(=N)OC.Cl.Cl
InChIKey
LRHXBHUTQWIZTN-UHFFFAOYSA-N
InChI
InChI=1S/C9H18N2O2.2ClH/c1-12-8(10)6-4-3-5-7-9(11)13-2;;/h10-11H,3-7H2,1-2H3;2*1H

Weigh it out

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Names and synonyms

3 names
  • Heptanediimidic acid, 1,7-dimethyl ester, hydrochloride (1:2)
  • Heptanediimidic acid, dimethyl ester, dihydrochloride
  • DMP Crosslinker

Work with Dimethyl pimelimidate dihydrochloride

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

Dimethyl suberimidate dihydrochloride34490-86-3100 % similar Dimethyl adipimidate dihydrochloride14620-72-595 % similar Methyl acetimidate hydrochloride14777-27-646 % similar Dimethyl sebacate106-79-639 % similar Dimethyl octadecanedioate1472-93-139 % similar 1,12-Dimethyl dodecanedioate1731-79-939 % similar Dimethyl pimelate1732-08-739 % similar Dimethyl suberate1732-09-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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