5-Benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
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Basic information
- CAS
272442-27-0- Standard SMILES
c1ccc(CN2CCc3[nH]ccc3C2)cc1- InChIKey
RRLDTKNWNRBUBK-UHFFFAOYSA-N- Molecular formula
- C14H16N2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.13134852
Names & identifiers
- Preferred name
- 5-Benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
- IUPAC
- 5-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
- English name
- 5-BENZYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE
- Molecular formula
- C14H16N2
- Molecular weight
- 212.29
Names & synonyms
272442-27-05-benzyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine5-Benzyl-1,4,6,7-tetrahydropyrrolo(3,2-c)pyridineRefChem:532560815-615-75-Benzyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine5-Benzyl-4,5,6,7-tetrahydro-5-azaindoleMFCD023206285-benzyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridinePyrrolo[3,2-c]pyridine, 4,5,6,7-tetrahydro-5-benzyl-1H-Pyrrolo[3,2-c]pyridine, 4,5,6,7-tetrahydro-5-(phenylmethyl)-Oprea1_762158
Show more names
5-Benzyl-1,4,6,7-tetrahydropyrrolo3,2-cpyridine
CHEMBL421805SCHEMBL19643991RRLDTKNWNRBUBK-UHFFFAOYSA-NXKA44227AKOS005144255SB363195-Benzyl-4567-tetrahydro-5-azaindoleNS-02407
Database identifiers
- CAS
272442-27-0- PubChem CID
- 564587
- ChEMBL
CHEMBL421805- EC Number
- 815-615-7
- Nikkaji
- J1.265.040J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 364.6 · 364.6±37.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 17.39 · 17.39±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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