Basic information
- CAS
5595-00-6- Standard SMILES
CN1CCCC(Cc2c[nH]c3ccccc23)C1- InChIKey
BZBXURJPKKRGRB-UHFFFAOYSA-N- Molecular formula
- C15H20N2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.16264865
Names & identifiers
- Preferred name
- 3-((1-Methylpiperidin-3-yl)methyl)-1H-indole
- IUPAC
- 3-[(1-methylpiperidin-3-yl)methyl]-1H-indole
- English name
- 3-(3-Methylpiperidinomethyl)indole
- Molecular formula
- C15H20N2
- Molecular weight
- 228.33
Names & synonyms
DTXSID809713603-((1-methylpiperidin-3-yl)methyl)-1H-indole3-[(1-methylpiperidin-3-yl)methyl]-1H-indoleRefChem:1066266DTXCID301398875INDOLE, 3-(1-METHYL-3-PIPERIDYLMETHYL)-1-Methyl-3-skatylpiperidineBRN 15761383-(3-Methylpiperidinomethyl)indole1H-Indole, 3-[(1-methyl-3-piperidinyl)methyl]-
Database identifiers
- CAS
5595-00-6- PubChem CID
- 21802
- DTXSID
DTXSID80971360
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 380.1 · 380.1±15.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- pka
- 17.29 · 17.29±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Sigma-Aldrich Japan K.K.[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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