1-Isopropyl-6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
Basic information
- CAS
878669-96-6- Standard SMILES
Cc1ccc2n1CCNC2C(C)C- InChIKey
SNNKJLGBMUIAOX-UHFFFAOYSA-N- Molecular formula
- C11H18N2
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.14699858
Names & identifiers
- Preferred name
- 1-Isopropyl-6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
- IUPAC
- 6-methyl-1-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
- English name
- 1-Isopropyl-6-methyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine
- Molecular formula
- C11H18N2
- Molecular weight
- 178.27
Names & synonyms
878669-96-61-isopropyl-6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazineMFCD073922986-methyl-1-propan-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine6-methyl-1-(propan-2-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine6-methyl-1-(propan-2-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazineSCHEMBL2753510DTXSID10424596HMS1699A12ALBB-006763STK504100AKOS000264945
Show more names
ST5314736ASN 09888849ASINEX-REAG BAS 098888491-Isopropyl-6-methyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazinePyrrolo[1,2-a]pyrazine, 1,2,3,4-tetrahydro-6-methyl-1-(1-methylethyl)-1-isopropyl-6-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine(SALTDATA: FREE)
AKOS016341299LS-02422H242211-Isopropyl-6-methyl-1,2,3,4-tetrahydropyrrolo [1,2,a]-pyrazine
Database identifiers
- CAS
878669-96-6- PubChem CID
- 6488367
- DTXSID
DTXSID10424596
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 288.6 · 288.6±28.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 8.76 · 8.76±0.40(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HazardClass
- IRRITANT
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
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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