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DL-O-Methylserine

HCID 97963
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Basic information

CAS
19794-53-7
Standard SMILES
COCC(N)C(=O)O
InChIKey
KNTFCRCCPLEUQZ-UHFFFAOYSA-N
Molecular formula
C4H9NO3
Average molar mass
119.12 g/mol

Overview

O-Methyl-DL-serine is an alpha-amino acid.

Names & identifiers

Preferred name
DL-O-Methylserine
IUPAC
2-amino-3-methoxypropanoic acid
English name
DL-O-Methylserine
Molecular formula
C4H9NO3
Molecular weight
119.12

Names & synonyms

DL-O-MethylserineDL-Serine, O-methyl-RefChem:10839122-amino-3-methoxypropanoic acid19794-53-7O-Methyl-DL-serine2-Amino-3-methoxy-propionic acidMFCD000377732-amino-3-methoxy-propanoic acidCHEBI:180594AC-26598O-methyl-D-Serhydrochloride
Show more names
MethylserineO-Methyl-DL-serinDL-Ser(me)DL-Ser(Me)-OHDL-H-Ser(Me)-OHDL-O-Methylserine>DL-O-Methylserine,>98%,
O-Methy-DL-serineO-methyl-D,L-serineH-DL-OMe-Ser-OHUNII-R5MJK98YKKNCIOpen2_000161SCHEMBL127189D-O-Methylserine hydrochlorateCHEMBL4085854

Database identifiers

CAS
19794-53-7、4219-94-7
PubChem CID
97963
ChEMBL
CHEMBL4085854
ChEBI
CHEBI:180594
EC Number
958-168-4
Nikkaji
J257.377F

Properties

Computed structural propertiesFilling in

XLogP
-3.5
Topological polar surface area
72.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
8
Formal charge
0
Complexity
83.4

Physicochemical properties

Boiling point
260.6 · 260.6±30.0 °C(Predicted)
Density
1.195 · 1.195±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
form
powder to crystal
pka
2.1 · 2.10±0.10(Predicted)
color
White to Almost white
CAS DataBase Reference
19794 · 19794-53-7(CAS DataBase Reference)
EWG's Food Scores
1 · 1
FDA UNII
5 MJK98YKK · R5MJK98YKK
Hazard Codes
Xi
WGK Germany
3 · 3
HazardClass
IRRITANT
HS Code
2922500090 · 2922500090

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
hs_code
2922500090
hazard_code
Xi
hazard_class
IRRITANT

Chemistry & industry

Applications

UsesO-Methylserine acts as a reagent for the synthesis of D-serine transporter inhibitors which are used pharmaceutically for the treatment of visual system disorders and enhancement of the visual functions.

Upstream & downstream products

Upstream raw materials

Methyl 2-bromo-3-methoxypropionate

Downstream products

N-Acetyl-5-methoxy serine

Additional notes

DefinitionChEBI: O-Methyl-DL-serine is an alpha-amino acid.

Suppliers

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Related reactions

5 records
New reaction record
HRID 105354 reaction equation
HRID 105354As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1844766 reaction equation
HRID 1844766As reactantuspto-grants-2015_02
HRID 2280355 reaction equation
HRID 2280355As reactantuspto-grants-2015_09
HRID 2280356 reaction equation
HRID 2280356As reactantuspto-grants-2015_09
HRID 2280358 reaction equation
HRID 2280358As reactantuspto-grants-2015_09

Compound notes

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