1-(Carbamoylmethyl)pyridinium Chloride

C7H9ClN2OCAS 41220-29-5172.61 g/mol

Open in Covalent MOL file
N+ONH2Cl−
Amide

Properties

Molecular formula
C7H9ClN2O
Molar mass
172.61 g/mol
Exact mass
172.0403 Da
logP
-3.54Crippen estimate
Polar surface area
47.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
41220-29-5
SMILES
C1=CC=[N+](C=C1)CC(=O)N.[Cl-]
InChIKey
IMJBHWDMQIYCEI-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O.ClH/c8-7(10)6-9-4-2-1-3-5-9;/h1-5H,6H2,(H-,8,10);1H

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Names and synonyms

1 names
  • 1-(Aminoformylmethyl)pyridinium chloride

Work with 1-(Carbamoylmethyl)pyridinium Chloride

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

1-(2-Oxopropyl)pyridinium bromide17282-41-642 % similar Ethylpyridinium chloride2294-38-441 % similar Phenacylpyridinium bromide16883-69-539 % similar 1-(Cyanomethyl)pyridinium chloride17281-59-339 % similar Butylpyridinium chloride1124-64-736 % similar Girard's P reagent1126-58-535 % similar Dodecylpyridinium chloride104-74-534 % similar Cetylpyridinium chloride123-03-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methylnicotinamide chloride1005-24-9 (2S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile207557-35-5 p-Hydroxybenzamidine monohydrochloride38148-63-9 Pralidoxime chloride51-15-0

Elsewhere

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