Basic information
- CAS
91188-18-0- Standard SMILES
CCNCC1CNC1- InChIKey
VGAMVQMWRXDPQL-UHFFFAOYSA-N- Molecular formula
- C6H14N2
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.11569846
Names & identifiers
- Preferred name
- N-(3-azetidinylmethyl)ethanamine
- IUPAC
- N-(azetidin-3-ylmethyl)ethanamine
- English name
- N-Ethyl-3-azetidinemethanamine
- Molecular formula
- C6H14N2
- Molecular weight
- 114.19
Names & synonyms
91188-18-0[(azetidin-3-yl)methyl](ethyl)amineN-(3-azetidinylmethyl)ethanamineN-(AZETIDIN-3-YLMETHYL)ETHANAMINE(azetidin-3-ylmethyl)(ethyl)amineSCHEMBL9437364DTXSID60558416N-[(Azetidin-3-yl)methyl]ethanamineAKOS006359652SB22678F8885-4763N-Ethyl-3-azetidinemethanamine
Show more names
3-Azetidinemethanamine, N-ethyl-
Database identifiers
- CAS
91188-18-0- PubChem CID
- 14280899
- DTXSID
DTXSID60558416
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 59.5
Physicochemical properties
- Boiling point
- 159.456 · 159.456±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.879 · 0.879±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 11.329 · 11.329±0.40(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers2 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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