(3-Chloropyrazin-2-yl)methanamine hydrochloride

C₅H₇Cl₂N₃CAS 939412-86-9180.03 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₇Cl₂N₃
Molar mass: 180.03 g/mol
Exact mass: 179.0017 Da
logP: 1.01Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

939412-86-9

SMILES

C1=CN=C(C(=N1)CN)Cl.Cl

InChIKey

YYVVOYJKQZWKFS-UHFFFAOYSA-N

InChI

InChI=1S/C5H6ClN3.ClH/c6-5-4(3-7)8-1-2-9-5;/h1-2H,3,7H2;1H

Weigh it out

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

Work with (3-Chloropyrazin-2-yl)methanamine 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

Similar compounds

(3-Chloropyrazin-2-yl)methanol89283-32-950 % similar (3-Fluoropyridin-2-yl)methanamine dihydrochloride312904-49-746 % similar (2-Chloropyridin-3-yl)methanamine205744-14-545 % similar 2,3-Dichloropyrazine4858-85-944 % similar 1H-Imidazol-2-ylmethylamine dihydrochloride22600-77-742 % similar 2-Aminomethylpyrimidine hydrochloride372118-67-742 % similar 2-Amino-3-chloropyrazine6863-73-640 % similar 3-Methyl-2-pyridinemethanamine153936-26-637 % similar

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

Elsewhere

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