Basic information
- CAS
58689-34-2- Standard SMILES
Br.BrCCCN1CCCCC1- InChIKey
RWHMRQYPQWJGFP-UHFFFAOYSA-N- Molecular formula
- C8H17Br2N
- Average molar mass
- 287.04 g/mol
- Monoisotopic mass
- 284.97277374
Names & identifiers
- Preferred name
- 1-(3-Bromopropyl)piperidine Hydrobromide
- IUPAC
- 1-(3-bromopropyl)piperidine;hydrobromide
- English name
- Piperidine, 1-(3-bromopropyl)-, hydrobromide
- Molecular formula
- C8H17Br2N
- Molecular weight
- 287.03528
Names & synonyms
1-(3-BROMOPROPYL)PIPERIDINE HYDROBROMIDERefChem:423506825-458-658689-34-2Piperidine, 1-(3-bromopropyl)-, hydrobromideMFCD131764951-(3-BROMOPROPYL)PIPERIDINE HBR1-(3-bromopropyl)piperidine;hydrobromide1-(3-Bromopropyl)piperidineHydrobromideSCHEMBL737145DTXSID70602838RWHMRQYPQWJGFP-UHFFFAOYSA-N
Show more names
1-(3-Bromopropyl)piperidine hydrobromide - [B92985]
3-bromopropylpiperidine hydrobromideICA689341-(3-bromopropyl)piperidinium bromideAKOS026728251SB43436AC-29853AS-44199SY034421
Database identifiers
- CAS
58689-34-2- PubChem CID
- 20135772
- DTXSID
DTXSID70602838- EC Number
- 825-458-6
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 79.3
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933399990 · 2933399990
Safety & regulation
GHS classification
GHS Classification
Warning
H303 (50%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (50%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses1-(3-Bromopropyl)piperidine hydrobromide (cas# 58689-34-2) is used as a reagent in the preparation of oxadiazole derivatives as P2X7 antagonists for treatment and prevention of P2X7 - mediated diseases.
Suppliers15 total
荟达医药科技(上海)有限公司15173502222 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
苏州昊帆生物股份有限公司0512-68311833 13962195826 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南诺博汀精细化工有限公司18798187137 · [email protected]
Related reactions
10 records
Compound notes
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