Basic information
- CAS
1011478-57-1- Standard SMILES
COC(=O)[C@@H](N)C(C)(C)O.Cl- InChIKey
FOAAHTSYWGRARN-PGMHMLKASA-N- Molecular formula
- C6H14ClNO3
- Average molar mass
- 183.63 g/mol
- Monoisotopic mass
- 183.066221
Names & identifiers
- Preferred name
- (S)-Methyl 2-amino-3-hydroxy-3-methylbutanoate hydrochloride
- IUPAC
- methyl (2S)-2-amino-3-hydroxy-3-methylbutanoate;hydrochloride
- English name
- (S)-Methyl 2-amino-3-hydroxy-3-methylbutanoate HCl
- Molecular weight
- 183.63
Names & synonyms
1011478-57-1(S)-Methyl 2-amino-3-hydroxy-3-methylbutanoate hydrochlorideMFCD22690371Methyl (2s)-2-amino-3-hydroxy-3-methylbutanoate hydrochloride(S)-METHYL 2-AMINO-3-HYDROXY-3-METHYLBUTANOATE HCLThreonine, 3-methyl-, methyl ester, hydrochloride (1:1)methyl (2S)-2-amino-3-hydroxy-3-methylbutanoate;hydrochlorideSCHEMBL1629944YQF3013FOAAHTSYWGRARN-PGMHMLKASA-NCS-0217549EN300-7704520
Show more names
methyl(2S)-2-amino-3-hydroxy-3-methylbutanoateL-Allothreonine, 3-methyl-, methyl ester, hydrochloride (1:1)
F305352(S)-Methyl2-amino-3-hydroxy-3-methylbutanoatehydrochloridemethyl (2S)-2-amino-3-hydroxy-3-methyl-butanoate;hydrochloride(S)-2-Amino-3-hydroxy-3-methyl-butyric acid methyl ester hydrochloride
Database identifiers
- CAS
1011478-57-1- PubChem CID
- 71742829
Properties
Computed structural properties
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
政扬药物研究开发(杭州)有限公司13995958448; 13995958448 · [email protected]
南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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