chempirical

Nicotinamidine hydrochloride

C6H8ClN3CAS 7356-60-7157.60 g/mol

Open in Covalent MOL file
HClHNH2NN
Amidine

Properties

Molecular formula
C6H8ClN3
Molar mass
157.60 g/mol
Exact mass
157.0407 Da
Melting point
189–190 °C
logP
0.79Crippen estimate
Polar surface area
62.8 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
7356-60-7
SMILES
Cl.N=C(N)c1cccnc1
InChIKey
MKJPBOVLAZADQJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3.ClH/c7-6(8)5-2-1-3-9-4-5;/h1-4H,(H3,7,8);1H

Weigh it out

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

Names and synonyms

10 names
  • 3-Pyridinecarboximidamide, hydrochloride (1:1)
  • Nicotinamidine, monohydrochloride
  • 3-Pyridinecarboximidamide, monohydrochloride
  • Nicotinamidine, hydrochloride
  • 3-Guanylpyridine hydrochloride
  • 3-Pyridinecarboxamidine hydrochloride
  • 3-Amidinopyridine hydrochloride
  • 3-Amidinopyridine monohydrochloride
  • Nicotinimidamide hydrochloride
  • 3-Amidinopyridinium chloride

Work with Nicotinamidine hydrochloride

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.

3-Pyridinecarboxamidine23255-20-1Free base

Similar compounds

Benzamidine hydrochloride1670-14-060 % similar Benzenecarboximidamide, hydrochloride, hydrate (1:1:?)206752-36-555 % similar Pyrazine-2-carboxamidine hydrochloride138588-41-753 % similar 3-Bromobenzamidine hydrochloride16796-52-450 % similar Nicotinic acid chloride hydrochloride20260-53-150 % similar Thionicotinamide4621-66-350 % similar Nicotinamide98-92-050 % similar 3-Methylbenzene-1-carboximidamide hydrochloride20680-59-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Amino-5-chloro-2,6-dimethylpyrimidine2858-20-0 Pyridine-2-carboximidamide hydrochloride51285-26-8 3-Amino-6-chloro-4,5-dimethylpyridazine76593-36-7

Elsewhere

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