2-(3,4-Dihydro-2H-pyrrol-5-yl)-1H-pyrrole
Basic information
- CAS
10087-65-7- Standard SMILES
c1c[nH]c(C2=NCCC2)c1- InChIKey
DTZKPTFBAXPYOT-UHFFFAOYSA-N- Molecular formula
- C8H10N2
- Average molar mass
- 134.18 g/mol
- Monoisotopic mass
- 134.08439833
Names & identifiers
- Preferred name
- 2-(3,4-Dihydro-2H-pyrrol-5-yl)-1H-pyrrole
- IUPAC
- 2-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyrrole
- English name
- 4,5-Dihydro-3H,1'H-[2,2']bipyrrolyl
- Molecular formula
- C8H10N2
- Molecular weight
- 134.18
Names & synonyms
10087-65-72-(3,4-Dihydro-2H-pyrrol-5-yl)-1H-pyrrole4',5'-Dihydro-1H,3'H-2,2'-bipyrrole2-(3,4-Dihydro-2H-pyrrol-5-yl)pyrrole1H-Pyrrole, 2-(3,4-dihydro-2H-pyrrol-5-yl)-MFCD00030437NSC 872364,5-DIHYDRO-3H,1'H-[2,2']BIPYRROLYL4,5-DIHYDRO-3H,1/'H-[2,2/']BIPYRROLYLNSC87236(2Z)-2-pyrrolidin-2-ylidenepyrroleNCIOpen2_001188
Show more names
2-(3,4-Dihydro-2H-pyrrol-5-yl)-1H-pyrrole, 3,4-Dihydro-5-(1H-pyrrol-2-yl)-2H-pyrrole
1H-Pyrrole,2-(3,4-dihydro-2H-pyrrol-5-yl)-2-(1-pyrrolin-2-yl)pyrrole2-(1-Pyrrolin-2-yl)-pyrrolSCHEMBL31187621DTXSID50905819NSC-87236SBB085871AKOS005073705
Database identifiers
- CAS
10087-65-7- PubChem CID
- 258381
- DTXSID
DTXSID50905819
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 162 · 162-163 °C
- Boiling point
- 261.7 · 261.7±22.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 16.17 · 16.17±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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