N-Me-Thr(Tbu)-OH
Basic information
- CAS
42417-72-1- Standard SMILES
CN[C@H](C(=O)O)[C@@H](C)OC(C)(C)C- InChIKey
KYXQLWFONOUGLB-RQJHMYQMSA-N- Molecular formula
- C9H19NO3
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.13649347
Names & identifiers
- Preferred name
- N-Me-Thr(Tbu)-OH
- IUPAC
- (2S,3R)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
- English name
- N-ME-THR(TBU)-OH
- Molecular formula
- C9H19NO3
- Molecular weight
- 189.25
Names & synonyms
N-Me-Thr(Tbu)-OH42417-72-1H-MeThr(tBu)-OHO-(tert-butyl)-N-methyl-L-threonine(2S,3R)-3-(tert-Butoxy)-2-(methylamino)butanoic acid(2S,3R)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid(2S,3R)-2-(methylazaniumyl)-3-[(2-methylpropan-2-yl)oxy]butanoateMFCD02094573CID 7010395H-N-Me-Thr(Tbu)-OHN-Me-Thr(tBu)-OH.HClH-L-METHR(TBU)-OH
Show more names
N-Me-Thr(tBu)-OH·HClN-Methyl-O-tert-butyl-L-threonineN-α-Methyl-O-(t-butyl)-L-threonineN-ALPHA-METHYL-O-TERT-BUTYL-L-THREONINE
SCHEMBL9280701N-ME-THREONINE(TBU)-OHDTXSID80426648O-tert-Butyl-N-methyl-L-threonineAKOS006346541N-alpha-Methyl-O-t-butyl-L-threonineN-METHYL-O-T-BUTYL-L-THREONINEAS-76419
Database identifiers
- CAS
42417-72-1- PubChem CID
- 7010396
- DTXSID
DTXSID80426648
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 266.6 · 266.6±30.0 °C(Predicted)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 2.16 · 2.16±0.13(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
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