Basic information
- Standard SMILES
C1CNC1.Cl- InChIKey
HGQULGDOROIPJN-UHFFFAOYSA-N- Molecular formula
- C3H8ClN
- Average molar mass
- 93.55 g/mol
- Monoisotopic mass
- 93.034527
Names & identifiers
- Preferred name
- Azetidine hydrochloride
- IUPAC
- azetidine;hydrochloride
- English name
- Azetidine hydrochloride
- Molecular formula
- C3H8ClN
- Molecular weight
- 93.55
Names & synonyms
Azetidine hydrochlorideRefChem:560502627-415-536520-39-5azetidine hclMFCD00191762azetidine;hydrochlorideTrimethyleneimine hydrochlorideC3H8ClNAzacyclobutane hydrochloride1,3-Propylenimine hydrochlorideAzetidine (hydrochloride)
Show more names
azetadine hydrochlorideAzetidine hydrochloride 97%Azetidine Hydrochloride >Azetidine hydrochloride ,98%Azetidine hydrochloride ,99%Tetrahydro-azete HydrochlorideTriMethyleniMine Hydrochloride
Trimethylene imine hydrochlorideAzetidine, hydrochlorideAzetidinehydrochlorideazetidine-hclazetidine HCl saltazetidine-hydrochlorideAzetidine; hydrochlorideazetidine hydrogen chloride
Database identifiers
- CAS
36520-39-5- PubChem CID
- 12308726
- DTXSID
DTXSID40957822- EC Number
- 627-415-5
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 17
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Flash point
- 152 °C · 152 °C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- Soluble in water (103.8°C at 760 mmHg).
- Sensitive
- Hygroscopic
- InChI
- InChI=1S/C3H7N.ClH/c1-2-4-3-1;/h4H,1-3H2;1H
- InChIKey
- HGQULGDOROIPJN-UHFFFAOYSA-N
- SMILES
- C1CNC1.Cl
- CAS DataBase Reference
- 36520 · 36520-39-5(CAS DataBase Reference)
- 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
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- RIDADR
- 1325 · UN1325
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT, HYGROSCOPIC
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN1325
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT, HYGROSCOPIC
- 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
UsesBasic building block for synthesizing azetidines.1,2
UsesAzetidine hydrochloride is a building block for azetidine synthesis and a pharmaceutical intermediate.
UsesAzetidine hydrochloride is a four-membered ring nitrogen-containing heterocycle. Useful building block in the synthesis of polypeptides and other nitrogen containing compounds with potential biological properties.
General DescriptionAzetidine derivatives are an essential class of aza-heterocyclic compounds with various biological activities and have been widely used as building blocks in pharmacological research. Although azetidine has the simplest structure, it is only commercially available in small quantities and at a high price. In addition, this compound is hard to synthesize for several reasons, such as cyclization of the four-membered ring, stability of the ring, and low boiling point[1].
Upstream & downstream products
Upstream raw materials
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