1-Methylnicotinamide chloride

C7H9ClN2OCAS 1005-24-9172.61 g/mol

Open in Covalent MOL file
N+HNO−HCl
Imine

Properties

Molecular formula
C7H9ClN2O
Molar mass
172.61 g/mol
Exact mass
172.0403 Da
Melting point
207–209 °C
logP
-0.38Crippen estimate
Polar surface area
50.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
1005-24-9
SMILES
C[n+]1cccc(C(=N)[O-])c1.Cl
InChIKey
BWVDQVQUNNBTLK-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O.ClH/c1-9-4-2-3-6(5-9)7(8)10;/h2-5H,1H3,(H-,8,10);1H

Weigh it out

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

Names and synonyms

13 names · show all
  • Pyridinium, 3-(aminocarbonyl)-1-methyl-, chloride (1:1)
  • 3-Carbamoyl-1-methylpyridinium chloride
  • Pyridinium, 3-carbamoyl-1-methyl-, chloride
  • Pyridinium, 3-(aminocarbonyl)-1-methyl-, chloride
  • 3-Carbamyl-1-methylpyridinium chloride
  • N1-Methylnicotinamide chloride
  • Trigonellamide chloride
  • Nicotinamide methochloride
  • 1-Methyl-3-carbamoylpyridinium chloride
  • 3-(Aminocarbonyl)-1-methylpyridinium chloride
  • N-Methyl-3-carboxamidepyridinium chloride
  • N-Methylnicotinamide chloride
  • 3-Carbamoyl-1-methylpyridin-1-ium chloride

Work with 1-Methylnicotinamide 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

Trigonelline hydrochloride6138-41-667 % similar Trigonelline535-83-158 % similar Nicotinamide riboside chloride23111-00-446 % similar Benzamidine hydrochloride1670-14-034 % similar Pyridostigmine bromide101-26-833 % similar Nicotinamide N-oxide1986-81-833 % similar 3-Methylbenzene-1-carboximidamide hydrochloride20680-59-532 % similar Benzenecarboximidamide, hydrochloride, hydrate (1:1:?)206752-36-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile207557-35-5 p-Hydroxybenzamidine monohydrochloride38148-63-9 1-(Carbamoylmethyl)pyridinium Chloride41220-29-5 Pralidoxime chloride51-15-0

Elsewhere

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