2,2,4-Trimethylpyrrolidine
Basic information
- CAS
35018-28-1- Standard SMILES
CC1CNC(C)(C)C1- InChIKey
AJMDMNYTTSGFEL-UHFFFAOYSA-N- Molecular formula
- C7H15N
- Average molar mass
- 113.2 g/mol
- Monoisotopic mass
- 113.12044948
Names & identifiers
- Preferred name
- 2,2,4-Trimethylpyrrolidine
- IUPAC
- 2,2,4-trimethylpyrrolidine
- English name
- 2,2,4-trimethylpyrrolidine
- Molecular formula
- C7H15N
- Molecular weight
- 113.2
Names & synonyms
2,2,4-trimethylpyrrolidine35018-28-1RefChem:440734826-760-0Pyrrolidine, 2,2,4-trimethyl-pyrrolidine, 2,2,4-trimethyl-, hydrochloride2,2,4-Trimethyl-pyrrolidineSCHEMBL11521831DTXSID301377237ALBB-026385AKOS006351318DB-093396
Show more names
CS-0451502EN300-96497G22347Z1203731935
Database identifiers
- CAS
35018-28-1- PubChem CID
- 414770
- DTXSID
DTXSID301377237- EC Number
- 826-760-0
- Nikkaji
- J3.087.336J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.4
Physicochemical properties
- Boiling point
- 171.98 °C · 171.98°C (rough estimate)
- Density
- 0.8063 · 0.8063
- refractive index
- 1.4259 · 1.4259
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H226-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS05
- Hazard statements
- H335-H226-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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