Basic information
- CAS
868395-81-7- Standard SMILES
CC(c1ccc(B(O)O)cc1)N1CCCC1- InChIKey
NQLHGKJEUGXKQH-UHFFFAOYSA-N- Molecular formula
- C12H18BNO2
- Average molar mass
- 219.09 g/mol
- Monoisotopic mass
- 219.143059
Names & identifiers
- Preferred name
- {4-[1-(1-Pyrrolidinyl)ethyl]phenyl}boronic acid
- IUPAC
- [4-(1-pyrrolidin-1-ylethyl)phenyl]boronic acid
- English name
- CHEMBRDG-BB 4015547
- Molecular formula
- C12H18BNO2
- Molecular weight
- 219.09
Names & synonyms
868395-81-7{4-[1-(1-Pyrrolidinyl)ethyl]phenyl}boronic acid(4-(1-(1-Pyrrolidinyl)ethyl)phenyl)boronic acidRefChem:401954800-629-84-(1-Pyrrolidinoethyl)phenylboronic acid(4-(1-(Pyrrolidin-1-yl)ethyl)phenyl)boronic acid[4-(1-PYRROLIDIN-1-YLETHYL)PHENYL]BORONIC ACIDMFCD080599764-[1-(1-Pyrrolidyl)ethyl]phenylboronic AcidBoronic acid, B-[4-[1-(1-pyrrolidinyl)ethyl]phenyl]-SCHEMBL5553067
Show more names
CHEMBRDG-BB 40155471-(1-(4-boronophenyl)ethyl)pyrrolidin-3-yliumB-[4-[1-(1-Pyrrolidinyl)ethyl]phenyl]boronic acid[4-(1-pyrrolidin-1-ylethyl)phenyl]boronic acid(SALTDATA: FREE)
NQLHGKJEUGXKQH-UHFFFAOYSA-NAKOS015854047BS-32941SY025513DB-348516CS-0175458I12447(4-(1-(Pyrrolidin-1-yl)ethyl)phenyl)boronicacid
Database identifiers
- CAS
868395-81-7- PubChem CID
- 45791102
- EC Number
- 800-629-8
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338+P310
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2933998090
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338+P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers15 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海瑞昶医药科技有限公司18621054990
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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