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Basic information
- CAS
936901-75-6- Standard SMILES
CC1(O)CC(c2nc(Br)c3c(N)nccn23)C1- InChIKey
ADYHPYNMZMANBW-UHFFFAOYSA-N- Molecular formula
- C11H13BrN4O
- Average molar mass
- 297.15 g/mol
- Monoisotopic mass
- 296.02727
Names & identifiers
- Preferred name
- cis-3-(8-Amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol
- IUPAC
- 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol
- English name
- Cyclobutanol, 3-(8-aMino-1-broMoiMidazo[1,5-a]pyrazin-3-yl)-1-Methyl-, cis-
- Molecular formula
- C11H13BrN4O
- Molecular weight
- 297.15
Names & synonyms
936901-75-6cis-3-(8-Amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanol1447607-56-83-(8-AMINO-1-BROMOIMIDAZO[1,5-A]PYRAZIN-3-YL)-1-METHYLCYCLOBUTANOL3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol(1s,3s)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-olcis-3-(8-amino-1-bromo-imidazo[1,5-a]pyrazin-3-yl)-1-methyl-cyclobutanolSCHEMBL527958SCHEMBL527959DTXSID40693450ADYHPYNMZMANBW-UHFFFAOYSA-NSB17811
Show more names
3-(8-AMino-1-broMo-iMidazo[1,5-a]pyrazin-3-yl)-1-Methyl-cyclobutanol(1s,3r)-3-{8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl}-1-methylcyclobutan-1-ol(1s,3s)-3-(1-aMino-8-broMoH-pyrrolo[1,2-a]pyrazin-6-yl)-1-Methylcyclobutanol(1S,3S)-3-(8-Amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutanolCyclobutanol, 3-(8-aMino-1-broMoiMidazo[1,5-a]pyrazin-3-yl)-1-Methyl-, cis-
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Density
- 1.911 · 1.911±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.773 · 14.773±0.40(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
西安瑞成医药科技有限责任公司18220540598; 18291828687 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海兴默生物技术有限公司+86 13524779951; 13524779951 · [email protected]
西安新诺化学科技有限公司15332490153 · [email protected]
兰州安杰利生物化学科技有限公司0931-8235634 13321316780 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
Related reactions
7 records
Compound notes
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