1-methyl-octahydro-1H-pyrrolo(3,2-c)pyridine
Basic information
- CAS
138021-99-5- Standard SMILES
CN1CCC2CNCCC21- InChIKey
APQINZAHFHXIRJ-UHFFFAOYSA-N- Molecular formula
- C8H16N2
- Average molar mass
- 140.23 g/mol
- Monoisotopic mass
- 140.13134852
Names & identifiers
- Preferred name
- 1-methyl-octahydro-1H-pyrrolo(3,2-c)pyridine
- IUPAC
- 1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
- English name
- 1-Methyl-octahydro-pyrrolo[3,2-c]pyridine
- Molecular formula
- C8H16N2
- Molecular weight
- 140.23
Names & synonyms
138021-99-51-methyl-octahydro-1H-pyrrolo[3,2-c]pyridine1-methyl-octahydro-1H-pyrrolo(3,2-c)pyridineRefChem:434553854-459-41-methyloctahydro-1H-pyrrolo[3,2-c]pyridine1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine1-Methyloctahydropyrrolo[3,2-c]pyridineSCHEMBL1992137SCHEMBL20520677APQINZAHFHXIRJ-UHFFFAOYSA-NSB17539
Show more names
1-Methyl-octahydro-pyrrolo[3,2-c]pyridine1H-Pyrrolo[3,2-c]pyridine, octahydro-1-methyl-
DB-404254CS-0046663D72850EN300-345999Octahydro-1-methyl-1H-pyrrolo[3,2-c]pyridine
Database identifiers
- CAS
138021-99-5- PubChem CID
- 46176554
- EC Number
- 854-459-4
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 197.1 · 197.1±8.0 °C(Predicted)
- Density
- 0.948 · 0.948±0.06 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H227-H314
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-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
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H227-H314
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…