Basic information
- CAS
879399-07-2- Standard SMILES
O[C@@H]1C[C@H]2CNCCN2C1- InChIKey
VLVMRQREBYGIBY-NKWVEPMBSA-N- Molecular formula
- C7H14N2O
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.11061307
Names & identifiers
- Preferred name
- (7R,8aS)-octahydropyrrolo[1,2-a]piperazin-7-ol
- IUPAC
- (7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol
- English name
- (7R,8aS)-octahydropyrrolo[1,2-a]pyrazin-7-ol
- Molecular formula
- C7H14N2O
- Molecular weight
- 142.2
Names & synonyms
879399-07-2(7R,8aS)-octahydropyrrolo[1,2-a]piperazin-7-ol(7R,8aS)-octahydropyrrolo(1,2-a)piperazin-7-olRefChem:405377820-281-0(7R,8aS)-octahydropyrrolo[1,2-a]pyrazin-7-ol1161000-19-6(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-olMFCD12964162(7R,8aS)-rel-Octahydropyrrolo[1,2-a]pyrazin-7-olcis-Octahydropyrrolo[1,2-a]piperazin-7-olSCHEMBL5521346
Show more names
Pyrrolo[1,2-a]pyrazin-7-ol, octahydro-, (7R,8aS)-(7R,8AS) -7-hydroxy-octahydropyrrole [1, 2-a] pyrazine(7R,8aS)-Octahydropyrrolo[1,2-a]pyrazin-7-ol - [X90300](7R,8aS)-octahydropyrrolo[1,2-a]pyrazin-7-ol compound with methane (1:1)
VLVMRQREBYGIBY-NKWVEPMBSA-NLT0078AKOS005264794AS-43118SY035941EN300-267855F329341F2147-2293
Database identifiers
- CAS
879399-07-2
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 264 · 264.0±35.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 14.73 · 14.73±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers39 total
宁波振岳医药科技有限公司19817745290 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
Aladdin Scientific[email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Shaanxi TNJONE Pharmaceutical Co., Ltd[email protected]
宁波苯康基石医药科技有限公司15990591583
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
Related reactions
8 records
Compound notes
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