Basic information
- CAS
32229-98-4- Standard SMILES
OCCCN1CCN(c2cccc(Cl)c2)CC1- InChIKey
MHOVZUZZHTZBSV-UHFFFAOYSA-N- Molecular formula
- C13H19ClN2O
- Average molar mass
- 254.75 g/mol
- Monoisotopic mass
- 254.11859091
Names & identifiers
- Preferred name
- 3-(4-(3-Chlorophenyl)piperazin-1-yl)propan-1-ol
- IUPAC
- 3-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-ol
- English name
- 3-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-o
- Molecular formula
- C13H19ClN2O
- Molecular weight
- 254.76
Names & synonyms
32229-98-43-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-ol3-(4-(3-chlorophenyl)piperazin-1-yl)propan-1-olDTXSID10954065RefChem:1066761DTXCID6013820991-Piperazinepropanol,4-(3-chlorophenyl)-3-[4-(3-Chlorophenyl)piperazin-1-yl]propanolNSC 85390Trazodone EP Impurity INSC85390MFCD11613839
Show more names
Trazodone Impurity 12Trazodone Related Compound 5Trazodone Hydroxypropyl Impurity3-[4-(3-Chlorophenyl)piperazin-1-ylTrazodone hydrochloride EP Impurity I1-Piperazinepropanol, 4-(3-chlorophenyl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-oTrazodone Impurity 12(Trazodone Hydrochloride EP Impurity I)
NCIOpen2_005044SCHEMBL7665969MHOVZUZZHTZBSV-UHFFFAOYSA-NTrazodone Hydrochloride Impurity LHBA22998NSC-85390AKOS005832404CCG-357768
Database identifiers
- CAS
32229-98-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 88 · 88-90°C
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Major Application
- pharmaceutical small molecule
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesNSC 85390 is used in the synthesis of Trazodone and its pharmaceutically acceptable salts which are used to treat cardiovascular, CNS and gastrointestinal disorders.
Suppliers46 total
天津始加生物医药科技有限公司15022261580 · [email protected]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
广州安励合生物科技有限公司13928234501 18098185186 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京药素科技有限公司13051859142
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Related reactions
2 records
Compound notes
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