Basic information
- CAS
833-86-3- Standard SMILES
Cl.O=C(CCN1CCCC1)c1ccccc1- InChIKey
AACQWMDCFMYTSE-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO
- Average molar mass
- 239.74 g/mol
- Monoisotopic mass
- 239.1076919
Names & identifiers
- Preferred name
- 3-(1-Pyrrolidinyl)propiophenone hydrochloride
- IUPAC
- 1-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
- English name
- 3-(1-pyrrolidinyl)propiophenone hydrochloride
- Molecular formula
- C13H17NO.ClH
- Molecular weight
- 0
Names & synonyms
833-86-3Propiophenone, 3-(1-pyrrolidinyl)-, hydrochloride3-(1-Pyrrolidinyl)propiophenone hydrochloridePyrrolidinopropiophenone hydrochloride3-(1-Pyrrolidiny)propiophenone hydrochlorideEINECS 212-633-1NSC 73484UNII-763U2A0O5F763U2A0O5FNSC-734841-Propanone, 1-phenyl-3-(1-pyrrolidinyl)-, hydrochlorideDTXSID50232258
Show more names
AACQWMDCFMYTSE-UHFFFAOYSA-N1-(phenyl)-3-(1'-pyrrolidin)propanone hydrochloride1-phenyl-3-pyrrolidin-1-ylpropan-1-one,hydrochloride
EC 212-633-11-PROPANONE, 1-PHENYL-3-(1-PYRROLIDINYL)-, HYDROCHLORIDE (1:1)RefChem:92072DTXCID501547491-Propanone, 1-phenyl-3-(1-pyrrolidinyl)-, hydrochloride (9CI)212-633-11-phenyl-3-(pyrrolidin-1-yl)propan-1-one hydrochloride1-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
Database identifiers
- CAS
833-86-3- PubChem CID
- 70033
- DTXSID
DTXSID50232258- UNII
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Water
- form
- Solid
- color
- Pink
- Major Application
- pharmaceuticalpharmaceutical small molecule
- InChI
- 1S/C13H17NO.ClH/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14;/h1-3,6-7H,4-5,8-11H2;1H
- InChIKey
- AACQWMDCFMYTSE-UHFFFAOYSA-N
- SMILES
- [Cl-].N2(CCCC2)CCC(=O)c1ccccc1.[H+]
- FDA UNII
- 763 U2A0O5F · 763U2A0O5F
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- target organs
- Respiratory system
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 (97.5%): 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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3-(1-pyrrolidinyl)propiophenone hydrochloride (EC: 212-633-1)
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses3-(1-Pyrrolidinyl)propiophenone Hydrochloride is an intermediate in the synthesis of Pyrrobutamine Hydrochloride which is an antihistaminic.
Suppliers5 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海康源隆医药科技发展有限公司86727548 13764759612 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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