CAS 19838-08-5 2-Amino-3-methylpyrazine (HCID 302284)

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Basic information

CAS: 19838-08-5
Standard SMILES: Cc1nccnc1N
InChIKey: VQPHZDDLWFHRHR-UHFFFAOYSA-N
Molecular formula: C5H7N3
Average molar mass: 109.13 g/mol
Monoisotopic mass: 109.06399722

Names & identifiers

Preferred name: 2-Amino-3-methylpyrazine
IUPAC: 3-methylpyrazin-2-amine
English name: 2-Amino-3-methylpyrazine
Molecular formula: C5H7N3
Molecular weight: 109.13

Names & synonyms

2-Amino-3-methylpyrazine3-Methylpyrazin-2-amine19838-08-52-Pyrazinamine, 3-methyl-MFCD087057703-Methyl-2-pyrazinamineSCHEMBL16994810DTXSID60307027AC-5182PB32667DS-10489Pyrazinamine, 3-methyl-

Show more names

(S)-HEXAHYDROPYRRO...2-Methyl-3-aMinopyrazine2-Pyrazinamine,3-methyl-2-Amino-3-methylpyrazine,95%3-Methylpyrazin-2-amine 97%2-Amino-3-methylpyrazine, 94%

3-Methylp3-METHYL-PYRAZIN-2-YLAMINEBCP04706NSC186054FT-06496803-Methylpyrazin-2-ylamine2-amino-3-methyl-pyrazineSCHEMBL86113

Database identifiers

CAS: 19838-08-5
PubChem CID: 302284
DTXSID: DTXSID60307027
Nikkaji: J151.376A

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.1

Physicochemical properties

Melting point: 165 · 165-167 °C
Boiling point: 194.6 °C · 194.6°C (rough estimate)
Density: 1.1118 · 1.1118 (rough estimate)
refractive index: 1.534 · 1.5340 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.56 · 3.56±0.10(Predicted)
form: Solid
Appearance: White to yellow Solid
InChI: InChI=1S/C5H7N3/c1-4-5(6)8-3-2-7-4/h2-3H,1H3,(H2,6,8)
InChIKey: VQPHZDDLWFHRHR-UHFFFAOYSA-N
SMILES: C1(N)=NC=CN=C1C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a