N-Methyl-L-threonine
Basic information
- CAS
2812-28-4- Standard SMILES
CN[C@H](C(=O)O)[C@@H](C)O- InChIKey
CCAIIPMIAFGKSI-DMTCNVIQSA-N- Molecular formula
- C5H11NO3
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.07389321
Names & identifiers
- Preferred name
- N-Methyl-L-threonine
- IUPAC
- (2S,3R)-3-hydroxy-2-(methylamino)butanoic acid
- English name
- H-L-METHR-OH HCL
- Molecular formula
- C5H11NO3
- Molecular weight
- 133.15
Names & synonyms
2812-28-4N-Methyl-L-threonineDTXSID30426638RefChem:1091914DTXCID10377472H-N-Me-Thr-OHmethyl-l-threonineN-Me-Thr-OHL-Threonine, N-methyl-n-methylthreonineMFCD02094308N-methylidene-L-threonine
Show more names
H-ME-THR-OHN-ME-THREONINEN-ME-THR-OH HCLH-L-METHR-OH HCLN-Me-L-Thr-OH·HClH-N-Me-Thr-OH.HCl
(2S,3R)-3-Hydroxy-2-(methylamino)butanoic acidH-MeThr-OHSCHEMBL162004(2S,3R)-3-hydroxy-2-(methylazaniumyl)butanoateAKOS006276574H-L-MeThr-OHN-Methyl-L-threonine, >=98% (TLC)AS-56490
Database identifiers
- CAS
2812-28-4- PubChem CID
- 7010355
- DTXSID
DTXSID30426638- EC Number
- 663-380-2
- Nikkaji
- J863.324J
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Melting point
- 235 °C · >235°C (dec.)
- Boiling point
- 301.508 · 301.508±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Aqueous Acid (Slightly), Aqueous Base (Slightly), Water (Slightly, Sonicated)
- pka
- 2.2 · 2.200±0.13(predicted)
- form
- Solid
- color
- White to Off-White
- optical activity
- -24 · [α]/D -24.0±1.0°, c = 1 in 1 M HCl
- BRN
- 1722279 · 1722279
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- WGK Germany
- 3 · 3
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
This chemical does not meet GHS hazard criteria for 100% (38 of 38) of all reports.
Not Classified
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesN-Methyl-L-threonine is a threonine derivative[1].
Suppliers
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Related reactions
0 records
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Compound notes
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