1-(Diphenylmethyl)azetidine
Basic information
- CAS
107128-00-7- Standard SMILES
c1ccc(C(c2ccccc2)N2CCC2)cc1- InChIKey
AZHWVHNIAGJINK-UHFFFAOYSA-N- Molecular formula
- C16H17N
- Average molar mass
- 223.31 g/mol
- Monoisotopic mass
- 223.13609955
Names & identifiers
- Preferred name
- 1-(Diphenylmethyl)azetidine
- IUPAC
- 1-benzhydrylazetidine
- English name
- 1-Diphenylmethylazetidine
- Molecular formula
- C16H17N
- Molecular weight
- 223.31
Names & synonyms
1-(Diphenylmethyl)azetidineRefChem:427745626-124-01-benzhydrylazetidine107128-00-7MFCD001921071-Benzhydryl azetidineAzetidine, 1-(diphenylmethyl)-Maybridge4_000375N-BenzhydrylazetidineHMS1522B011-(Diphenylmethyl)azetidine, 98%
Show more names
RMA-2981-benzhydrylazetaneLABOTEST-BB LT001592411-(DiphenylMethyl)azetidine7.1-Diphenylmethylazetidine ISO 9001：2015 REACH
AKOS015902945DS-16301SY110567(diphenylmethyl)azetidineN-(Diphenylmethyl)azetidine1-(Diphenylmethyl)-azetidinebenzhydryl azetidine1-benzhydryl-azetidine
Database identifiers
- CAS
107128-00-7- PubChem CID
- 2802895
- DTXSID
DTXSID90384381- EC Number
- 626-124-0
- Nikkaji
- J1.091.500G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 109 · 109-112 °C (lit.)
- Boiling point
- 307.7 · 307.7±11.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7.44 · 7.44±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C16H17N/c1-3-8-14(9-4-1)16(17-12-7-13-17)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2
- InChIKey
- AZHWVHNIAGJINK-UHFFFAOYSA-N
- SMILES
- C1CN(C1)C(c2ccccc2)c3ccccc3
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAzetidine derivatives as antiarrhythmic agents
Uses1-(Diphenylmethyl)azetidine may be used in the preparation of monofunctional poly(tetrahydrofuran), (poly(THF)), having a 1-(diphenylmethyl)azetidinium end group.
General Description1-(Diphenylmethyl)azetidine is a N-containing heterocyclic building block.
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
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