Basic information
- CAS
5654-83-1- Standard SMILES
C1CC2CNCCN2C1- InChIKey
FTTATHOUSOIFOQ-UHFFFAOYSA-N- Molecular formula
- C7H14N2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.11569846
Names & identifiers
- Preferred name
- Octahydropyrrolo(1,2-a)pyrazine
- IUPAC
- 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
- English name
- (+/-)-1,4-Diazabicyclo[4.4.0]decane
- Molecular formula
- C7H14N2
- Molecular weight
- 126.2
Names & synonyms
Octahydropyrrolo[1,2-a]pyrazine5654-83-1DTXSID10339772Octahydropyrrolo(1,2-a)pyrazineRefChem:167763DTXCID50290853639-325-31,4-Diazabicyclo[4.3.0]nonaneOctahydro-pyrrolo[1,2-a]pyrazine1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazinepyrrolo[1,2-a]pyrazine, octahydro-MFCD00082600
Show more names
OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZINEAKOS AL-24Albb-009271OCTAHYDRO-PYRIDO[1,2-A ]PYRAZINE(+/-)-1,4-Diazabicyclo[4.4.0]decane1,4-diazabiscyclo[4.3.0]nonylalkaneOctahydro-pyrrolo[1,2-a]pyrazine 2HCl1,4-diazabicyclo[4.3.0]nonane - [D4394]octahydropyrrolo[1,2-a]pyrazine(SALTDATA: FREE)
octahydropyrrolo[1,2-a]piperazine1,4-diazabicyclo(1,4-diazabicyclo[octahydro-pyrrolo(1,2-a)pyrazine1,4-diazabicyclo(4.3.0)nonaneSCHEMBL44952SCHEMBL63706SCHEMBL95184
Database identifiers
- CAS
5654-83-1- PubChem CID
- 558578
- DTXSID
DTXSID10339772- EC Number
- 639-325-3
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 74 · 74-75 °C(Press: 10 Torr)
- Density
- 0.9679 g/cm3 · 0.9679 g/cm3
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 9.98 · 9.98±0.20(Predicted)
- form
- Oil
- color
- Colourless
- CAS DataBase Reference
- 5654 · 5654-83-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- 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 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)；Eye Irrit. 2A (33.3%)；STOT SE 3 (33.3%)
Safety data
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers74 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [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]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
65 records
Compound notes
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