Grundinformationen
- CAS
2566-34-9- Standard-SMILES
CNC(C)(C)C(=O)O- InChIKey
DLAMVQGYEVKIRE-UHFFFAOYSA-N- Summenformel
- C5H11NO2
- Durchschnittliche Molmasse
- 117,15 g/mol
- Monoisotopische Masse
- 117,07897859
Überblick
Alpha-(methylamino)isobutyric acid is a non-proteinogenic alpha-amino acid that is isobutyric acid in which the alpha-hydrogen has been replaced by a methylamino group. It has a role as a human urinary metabolite. It is an alanine derivative, a secondary amino compound and a non-proteinogenic alpha-amino acid. It is functionally related to an isobutyric acid. It is a tautomer of a N-methyl-aminoisobutyrate zwitterion.
Namen und Bezeichner
- Bevorzugter Name
- alpha-(Methylamino)isobutyric acid
- IUPAC
- 2-methyl-2-(methylamino)propanoic acid
- Lokaler Name
- 2-(Methylamino)isobuttersaeure
- Englischer Name
- N-Me-Aib-OH HCl
- Summenformel
- C5H11NO2
- Molmasse
- 117.15
Namen und Synonyme
2566-34-92-(Methylamino)isobutyric acidN,2-dimethylalaninealpha-(Methylamino)isobutyric acidN-(methylamino)isobutyric acidalpha-methylaminoisobutyratealpha-(methylamino)isobutyrate26F96C8MBJDTXSID90180360CHEBI:134261AMAIBN-methyl alpha-aminoisobutyric acid
Weitere Namen anzeigen
N-ME-AIB-OHH-MEAIB-OHH-N-Me-Aib-OHH-(ME)MEALA-OHN-Me-Aib-OH HClN-Me-a-Me-Ala-OH2,N-DIMETHYLALANINE
RefChem:461320DTXCID00102851219-898-22-methyl-2-(methylamino)propanoic acidMeAIBAlanine, N,2-dimethyl-N,2-Dimethyl-DL-alanineMFCD00004191
Datenbank-Bezeichner
- CAS
2566-34-9- PubChem CID
- 75725
- DTXSID
DTXSID90180360- ChEMBL
CHEMBL1916079- ChEBI
CHEBI:134261- UNII
- 26F96C8MBJ
- EC Number
- 219-898-2
- Nikkaji
- J192.071E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,3
- Polarare Oberfläche (TPSA)
- 49,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 98,6
Experimentelle und physikochemische Eigenschaften
Melting Point300 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · 300 °C
- Siedepunkt
- 192.5 · 192.5±23.0 °C(Predicted)
- Dichte
- 1.2 · 1.2000 (estimate)
- Brechungsindex
- 1.465 · 1.4650 (estimate)
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- Wasserlöslichkeit
- almost transparency in Water
- Aggregatzustand
- powder to crystal
- pka
- 2.17 · 2.17±0.10(Predicted)
- Farbe
- White to Almost white
- BRN
- 1746984 · 1746984
- InChI
- 1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)
- InChIKey
- DLAMVQGYEVKIRE-UHFFFAOYSA-N
- SMILES
- CNC(C)(C)C(O)=O
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2922.49.8000
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2
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