Basic information
- CAS
22031-52-3- Standard SMILES
O=C1NC2CCCC12- InChIKey
AXDBIGNYXNSBHV-UHFFFAOYSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- 6-Azabicyclo(3.2.0)heptan-7-one
- IUPAC
- 6-azabicyclo[3.2.0]heptan-7-one
- English name
- 6-Azabicyclo[3.2.0]heptan-7-one
- Molecular formula
- C6H9NO
- Molecular weight
- 111.14
Names & synonyms
6-Azabicyclo[3.2.0]heptan-7-one22031-52-3DTXSID503384816-Azabicyclo(3.2.0)heptan-7-oneRefChem:1073810DTXCID10289566MFCD018632776-Aza-bicyclo[3.2.0]heptan-7-one6-AZABICYCLO[3.2.0]HEPTAN-7-ONE6-AZABICYCLO[3.2.0]HEPTAN-7-ONE6-Azabicyclo[3,2,0]heptan-7-oneSCHEMBL775110CHEMBL178335
Show more names
6-Azabicyclo[3.2.0]heptan-7-one,98%6-AZABICYCLO[3.2.0]HEPTAN-7-ONE 98%(+/-)-6-Azabicyclo[3.2.0]heptan-7-on
EBC-129692-Aza-3-oxobicyclo[3.2.0]heptaneAKOS009156546SB11924SB460506-Azabicyclo[3.2.0]heptan-7-one #CS-15893SY246407
Database identifiers
- CAS
22031-52-3- PubChem CID
- 549320
- DTXSID
DTXSID50338481- ChEMBL
CHEMBL178335- Nikkaji
- J1.514.199I
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 132
Physicochemical properties
- Melting point
- 45 · 45-50 °C
- Boiling point
- 208.27 °C · 208.27°C (rough estimate)
- Density
- 1.0656 · 1.0656 (rough estimate)
- refractive index
- 1.4729 · 1.4729 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Crystalline Powder
- pka
- 15.69 · 15.69±0.20(Predicted)
- color
- Off-white to pale yellow
- Hazard Codes
- Xi-F
- Risk Statements
- 36 · 36/37/38-11
- Safety Statements
- 37 · 37/39-26-16
- HS Code
- 29337900 · 29337900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29337900
- risk_code
- 36/37/38-11
- hazard_code
- Xi-F
- safety_code
- 37/39-26-16
Chemistry & industry
Suppliers46 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
郑州睿嘉纳米新材料科技有限公司0371-037161101779 15737143979 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Related reactions
2 records
Compound notes
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