3,3,5,5-Tetramethylmorpholine
Basic information
- CAS
19412-12-5- Standard SMILES
CC1(C)COCC(C)(C)N1- InChIKey
YCSHCQUVDDBCFR-UHFFFAOYSA-N- Molecular formula
- C8H17NO
- Average molar mass
- 143.23 g/mol
- Monoisotopic mass
- 143.13101417
Names & identifiers
- Preferred name
- 3,3,5,5-Tetramethylmorpholine
- IUPAC
- 3,3,5,5-tetramethylmorpholine
- English name
- 3,3,5,5-Tetramethyl-morpholine
- Molecular formula
- C8H17NO
- Molecular weight
- 143.23
Names & synonyms
3,3,5,5-tetramethylmorpholine19412-12-5DTXSID60404545RefChem:270104DTXCID903553993,3,5,5-Tetramethyl-morpholineMFCD01874351Oprea1_559738SCHEMBL2335520SCHEMBL4523178AKOS002364177AB10487
Show more names
OTAVA-BB 7020432302Morpholine, 3,3,5,5-tetramethyl-
NS-01109ST018528EN300-3051063,3,5,5-Tetramethyl-morpholine;OTAVA-BB 7020432302
Database identifiers
- CAS
19412-12-5- PubChem CID
- 4584871
- DTXSID
DTXSID60404545- EC Number
- 108-760-6
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 47 · 47-49 °C(Press: 9 Torr)
- Density
- 0.84 · 0.840±0.06 g/cm3(Predicted)
- pka
- 9.22 · 9.22±0.60(Predicted)
- form
- solid
- InChI
- 1S/C8H17NO/c1-7(2)5-10-6-8(3,4)9-7/h9H,5-6H2,1-4H3
- InChIKey
- YCSHCQUVDDBCFR-UHFFFAOYSA-N
- SMILES
- CC1(C)NC(C)(C)COC1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Related reactions
1 records
Compound notes
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