CAS 117718-82-8 Imidazo(1,2-a)pyrazin-8-amine, 3-bromo-N-methyl- (HCID 3088360)

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Basic information

CAS: 117718-82-8
Standard SMILES: CNc1nccn2c(Br)cnc12
InChIKey: IYPYESRWCUEMDJ-UHFFFAOYSA-N
Molecular formula: C7H7BrN4
Average molar mass: 227.06 g/mol
Monoisotopic mass: 225.98540832

Names & identifiers

Preferred name: Imidazo(1,2-a)pyrazin-8-amine, 3-bromo-N-methyl-
IUPAC: 3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine
English name: 3-Bromo-N-methylimidazo[1,2-a]pyrazin-8-amine
Molecular formula: C7H7BrN4
Molecular weight: 227.06

Names & synonyms

3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine117718-82-8Imidazo(1,2-a)pyrazin-8-amine, 3-bromo-N-methyl-BRN 58117813-Bromo-N-methylimidazo(1,2-a)pyrazin-8-amineDTXSID40151888RefChem:348474DTXCID7074379CHEMBL430685pab23SCHEMBL2269579IYPYESRWCUEMDJ-UHFFFAOYSA-N

Show more names

3-BROMO-8-(METHYLAMINO)IMIDAZO[1,2-A]PYRAZINE(3-BROMO-IMIDAZO[1,2-A]PYRAZIN-8YL)-METHYL-AMINE

BDBM50229879AKOS024321172AB07633EBC-612698DB-4032183-bromo-8-methylaminoimidazo[1,2-a]pyrazineN-(3-Bromoimidazo[1,2-a]pyrazin-8-yl)methylamine(3-Bromo-imidazo[1,2-a]pyrazin-8-yl)-methyl-amine

Database identifiers

CAS: 117718-82-8
PubChem CID: 3088360
DTXSID: DTXSID40151888
ChEMBL: CHEMBL430685
EC Number: 185-516-5
Nikkaji: J510.328B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 42.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 145 · 145-146 °C
Density: 1.82 · 1.820±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 2.937 · 2.937±0.30(predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.