Basic information
- CAS
21000-95-3- Standard SMILES
CC1CCN(Cc2c[nH]c3ccccc23)CC1- InChIKey
DGCGMYNLCDVYMB-UHFFFAOYSA-N- Molecular formula
- C15H20N2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.16264865
Names & identifiers
- Preferred name
- Indole, 3-((4-methylpiperidino)methyl)-
- IUPAC
- 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole
- English name
- 3-[(4-Methylpiperidino)methyl]-1H-indole
- Molecular formula
- C15H20N2
- Molecular weight
- 228.33
Names & synonyms
21000-95-3INDOLE, 3-((4-METHYLPIPERIDINO)METHYL)-DTXSID30175210RefChem:1087305DTXCID90977013-[(4-methylpiperidin-1-yl)methyl]-1H-indole3-((4-Methylpiperidin-1-yl)methyl)-1H-indoleCHEMBL574783-[(4-Methylpiperidino)methyl]-1H-indoleBRN 01914003-(4-Methyl-piperidin-1-ylmethyl)-1H-indole3-((4-Methylpiperidino)methyl)indole
Show more names
3-(4-METHYLPIPERIDINOMETHYL)INDOLE1H-Indole, 3-[(4-methyl-1-piperidinyl)methyl]-
Oprea1_382776Oprea1_731728SCHEMBL135041003-[(4-methylpiperidyl)methyl]indoleBDBM50050469STK617550AKOS002266584PD180937
Database identifiers
- CAS
21000-95-3- PubChem CID
- 30438
- DTXSID
DTXSID30175210- ChEMBL
CHEMBL57478- EC Number
- 654-844-5
- Nikkaji
- J62.682A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 108 · 108-109 °C
- Boiling point
- 370.5 · 370.5±17.0 °C(Predicted)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- pka
- 17.51 · 17.51±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H302
- 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
Suppliers1 total
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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