Basic information
- CAS
23081-86-9- Standard SMILES
CCCCN1CCC(=O)CC1- InChIKey
OCNWYKFGWLGNHZ-UHFFFAOYSA-N- Molecular formula
- C9H17NO
- Average molar mass
- 155.24 g/mol
- Monoisotopic mass
- 155.13101417
Names & identifiers
- Preferred name
- 1-Butyl-4-piperidone
- IUPAC
- 1-butylpiperidin-4-one
- English name
- 1-Butyl-4-piperidone
- Molecular formula
- C9H17NO
- Molecular weight
- 155.24
Names & synonyms
23081-86-91-Butyl-4-piperidone1-Butyl-4-piperidinoneEINECS 245-420-7DTXSID50177655RefChem:431082DTXCID10100146245-420-71-butylpiperidin-4-one1-BUTYLTETRAHYDRO-4(1H)-PYRIDINONEMFCD000234041-n-Butyl-4-piperidone
Show more names
N-BUTYL-4-PIPERIDONEN-Butyl-4-piperidinone
1-butyl4-piperidonel-butyl-4-piperidoneVRD4QGL4RP4-Piperidone, 1-butyl-4-Piperidinone, 1-butyl-SCHEMBL3728839YAA08186SBB087084
Database identifiers
- CAS
23081-86-9- PubChem CID
- 89995
- DTXSID
DTXSID50177655- UNII
- VRD4QGL4RP
- EC Number
- 245-420-7
- Nikkaji
- J318.400E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 50 °/0.1mm · 50°/0.1mm
- Density
- 0.943 · 0.943±0.06 g/cm3(Predicted)
- refractive index
- 1.4595 · 1.4595 (589.3 nm 25℃)
- storage temp.
- 2 · 2-8°C
- pka
- 8.1 · 8.10±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C9H17NO/c1-2-3-6-10-7-4-9(11)5-8-10/h2-8H2,1H3
- InChIKey
- OCNWYKFGWLGNHZ-UHFFFAOYSA-N
- SMILES
- N1(CCCC)CCC(=O)CC1
- CAS DataBase Reference
- 23081 · 23081-86-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HazardClass
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers28 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州稀亚生物科技有限公司13775267187 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
苏州启航生物科技有限公司18151111370
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
Related reactions
25 records
Compound notes
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