Methyl 2-amino-3-hydroxybutanoate

HCID 324007

Notes Reactions

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Basic information

CAS: 3373-59-9
Standard SMILES: COC(=O)C(N)C(C)O
InChIKey: TVHCXXXXQNWQLP-UHFFFAOYSA-N
Molecular formula: C5H11NO3
Average molar mass: 133.15 g/mol
Monoisotopic mass: 133.07389321

Names & identifiers

Preferred name: Methyl 2-amino-3-hydroxybutanoate
IUPAC: methyl 2-amino-3-hydroxybutanoate
English name: L-Threonine methyl ester
Molecular formula: C5H11NO3
Molecular weight: 133.15

Names & synonyms

Methyl 2-amino-3-hydroxybutanoateL-allo-Threoninemethylesterdl-threonine methyl ester2065185-81-9MFCD0925086679617-28-0L-Allo-threonine methyl estermethyl (2S,3R)-2-amino-3-hydroxy-butanoateD-Threonine, methyl esterdl-Threonine, methyl esterSCHEMBL158741Methyl2-amino-3-hydroxybutanoate

Show more names

H-THR-OMEmethyl L-threoninateL-Thr-OMeEinecs 222-158-1L-Threonine methylLinaclotide Impurity 21L-Threonine methyl ester(2S,3R)-Methyl 2-aMino-3-hydroxybutanoate2-amino-3-hydroxybutanoic acid methyl ester(2S,3R)-2-Amino-3-hydroxybutyric acid methyl ester

CHEBI:184044methyl 2-amino-3-hydroxy-butanoateMethyl 2-amino-3-hydroxybutanoate #MFCD00095177NSC287508AKOS009159377PD196526SY263671

Database identifiers

CAS: 3373-59-9
PubChem CID: 324007
ChEBI: CHEBI:184044
Nikkaji: J1.098.152B

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 104

Physicochemical properties

Melting point: 213 · 213-214 °C
Boiling point: 238.6 · 238.6±20.0 °C(Predicted)
Density: 1.143 · 1.143±0.06 g/cm3(Predicted)
vapor pressure: 1.2 Pa · 1.2Pa at 25℃
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: Solid
pka: 12.02 · 12.02±0.45(Predicted)
LogP: -1.2 at · -1.2 at 20℃ and pH8.5
Surface tension: 72.5 mN/m · 72.5mN/m at 1g/L and 20℃
FDA UNII: 9 FOK073U22 · 9FOK073U22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
REACH Registrations: Active

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H317
REACH Registrations: Active
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Methanol L-Threonine

Suppliers51 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]

Syntechem Co.,Ltd[email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

宁波亿诺化学品有限公司86-574-27787657 · [email protected]

Related reactions

17 records

New reaction record

HRID 88765As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 139625As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 146380As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 294999As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 300542As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 318201As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 319186As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 627827As reactantuspto-grants-2016_04

Compound notes

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