Basic information
- CAS
1059630-12-4- Standard SMILES
Brc1cccc2c1NC1CCNCC21- InChIKey
LPBJHSPFSUDRSY-UHFFFAOYSA-N- Molecular formula
- C11H13BrN2
- Average molar mass
- 253.14 g/mol
- Monoisotopic mass
- 252.02621052
Names & identifiers
- Preferred name
- 6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
- IUPAC
- 6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
- English name
- 6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
- Molecular formula
- C11H13BrN2
- Molecular weight
- 253.14
Names & synonyms
6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole1059630-12-4MFCD29923356SCHEMBL3310317(4AS,9BR)-6-BROMO-1H,2H,3H,4H,4AH,5H,9BH-PYRIDO[4,3-B]INDOLESCHEMBL13330120DTXSID3012110771H-Pyrido[4,3-b]indole, 6-bromo-2,3,4,4a,5,9b-hexahydro-AKOS022531363SB18169SB18170DS-13644
Show more names
EOS-60907Lumateperone Tosylate Impurity 107
SY266249DB-129475CS-0062355C71236F054376rel-(4aS,9bR)-6-bromo-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole
Database identifiers
- CAS
1059630-12-4- PubChem CID
- 59317962
- DTXSID
DTXSID301211077
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 338.4 · 338.4±42.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 10.02 · 10.02±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers15 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
ChemeGen 中国18818260767 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
德州博腾精细化工有限公司[email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
上海智乾生物科技有限公司[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
1 records
Compound notes
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