N-Succinimidyl-N-methylcarbamate

C₆H₈N₂O₄CAS 18342-66-0172.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈N₂O₄
Molar mass: 172.14 g/mol
Exact mass: 172.0484 Da
logP: -0.59Crippen estimate
Polar surface area: 75.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

18342-66-0

SMILES

CNC(=O)ON1C(=O)CCC1=O

InChIKey

XMNGSPOWUCNRMO-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O4/c1-7-6(11)12-8-4(9)2-3-5(8)10/h2-3H2,1H3,(H,7,11)

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Names and synonyms

1 names

N-Succinimidyl methylcarbamate

Work with N-Succinimidyl-N-methylcarbamate

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

Acetic acid N-hydroxysuccinimide ester14464-29-050 % similar Di(succinimido) carbonate74124-79-150 % similar Disuccinimidyl glutarate79642-50-546 % similar Boc-beta-ala-osu32703-87-044 % similar Disuccinimidyl suberate68528-80-343 % similar tert-Butyl succinimidyl carbonate13139-12-342 % similar Iodoacetic acid N-hydroxysuccinimide ester39028-27-842 % similar Bromoacetic acid N-hydroxysuccinimide ester42014-51-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-1-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIc acid103365-69-1

Elsewhere

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