Basic information
- CAS
52694-50-5- Standard SMILES
CN1CCCC(CCl)C1- InChIKey
FFOIFAAVWJZLFE-UHFFFAOYSA-N- Molecular formula
- C7H14ClN
- Average molar mass
- 147.64 g/mol
- Monoisotopic mass
- 147.08147713
Names & identifiers
- Preferred name
- 3-(Chloromethyl)-1-methylpiperidine
- IUPAC
- 3-(chloromethyl)-1-methylpiperidine
Names & synonyms
3-(Chloromethyl)-1-methylpiperidine52694-50-5EINECS 258-108-0DTXSID70967136RefChem:92579DTXCID601394741258-108-03-Chloromethyl-1-methyl-piperidine3-Chloromethyl-1-methylpiperidine3-chloromethyl-N-methylpiperidinePiperidine, 3-(chloromethyl)-1-methyl-, hydrochlorideSCHEMBL734075
Show more names
3-chloromethyl-methyl piperidine1-methyl-3-chloromethylpiperidine3-chloromethyl-1-methyl piperidineALBB-0222763-(chloromethyl)-1-methyl-piperidineAKOS009158630NCGC00666083-01BS-23102
Database identifiers
- CAS
52694-50-5- PubChem CID
- 103674
- DTXSID
DTXSID70967136- EC Number
- 258-108-0
- Nikkaji
- J29.221D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.
Related reactions
24 records
Compound notes
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