(3S)-3-tert-Butylmorpholine
Basic information
- CAS
1007112-64-2- Standard SMILES
CC(C)(C)[C@H]1COCCN1- InChIKey
YGBCOMFKPPSDAN-SSDOTTSWSA-N- Molecular formula
- C8H17NO
- Average molar mass
- 143.23 g/mol
- Monoisotopic mass
- 143.13101417
Names & identifiers
- Preferred name
- (3S)-3-tert-Butylmorpholine
- IUPAC
- (3S)-3-tert-butylmorpholine
- English name
- (S)-3-(tert-butyl)morpholine
- Molecular formula
- C8H17NO
- Molecular weight
- 143.23
Names & synonyms
1007112-64-2(3S)-3-tert-ButylmorpholineDTXSID40693470RefChem:208292DTXCID30644219868-509-8(S)-3-(tert-butyl)morpholineMorpholine, 3-(1,1-dimethylethyl)-, (3S)-(S)-3-tert-butylmorpholineSCHEMBL1005327YGBCOMFKPPSDAN-SSDOTTSWSA-NAKOS006379689
Show more names
(3S)-3-(1,1-Dimethylethyl)morpholine(3S)-3-(1,1-Dimethylethyl)-morpholine HCl
DB-023252CS-0440234EN300-6935593
Database identifiers
- CAS
1007112-64-2- PubChem CID
- 53338726
- DTXSID
DTXSID40693470- EC Number
- 868-509-8
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Boiling point
- 189 · 189.0±15.0 °C(Predicted)
- Density
- 0.896 · 0.896±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.03 · 9.03±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H227-H335-H318
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, P403+P233, 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. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H227-H335-H318
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
2 records
Compound notes
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