CAS 74290-67-8 5-Bromo-3-methylpyrazin-2-amine (HCID 21785147)

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Basic information

CAS: 74290-67-8
Standard SMILES: Cc1nc(Br)cnc1N
InChIKey: VZZCBPAGRWGQDG-UHFFFAOYSA-N
Molecular formula: C5H6BrN3
Average molar mass: 188.03 g/mol
Monoisotopic mass: 186.97450929

Names & identifiers

Preferred name: 5-Bromo-3-methylpyrazin-2-amine
IUPAC: 5-bromo-3-methylpyrazin-2-amine
English name: 2-Amino-5-bromo-3-methylpyrazine
Molecular formula: C5H6BrN3
Molecular weight: 188.03

Names & synonyms

74290-67-85-bromo-3-methylpyrazin-2-amineDTXSID10618014RefChem:533577DTXCID70568768986-070-12-AMINO-5-BROMO-3-METHYLPYRAZINE5-bromo-3-methyl-pyrazin-2-amineMFCD087057735-BROMO-3-METHYL-PYRAZIN-2-YLAMINESCHEMBL1255045SCHEMBL28125537

Show more names

Pyrazinamine, 5-bromo-3-methyl-2-Pyrazinamine,5-bromo-3-methyl-5-BROMO-3-METHYLPYRAZIN-2-YLAMINE

SCHEMBL30423024VZZCBPAGRWGQDG-UHFFFAOYSA-N2-amino-5-bromo-3-methyl-pyrazineAKOS006290279AB48639CS-W019817FS-2811DA-19245

Database identifiers

CAS: 74290-67-8
PubChem CID: 21785147
DTXSID: DTXSID10618014
EC Number: 986-070-1

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 98.2

Physicochemical properties

Boiling point: 272.4 · 272.4±35.0 °C(Predicted)
Density: 1.699 · 1.699±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 2 · 2.00±0.10(Predicted)
Appearance: Off-white to yellow Solid
InChI: InChI=1S/C5H6BrN3/c1-3-5(7)8-2-4(6)9-3/h2H,1H3,(H2,7,8)
InChIKey: VZZCBPAGRWGQDG-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Br)N=C1C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.