Grundinformationen
- Standard-SMILES
CN(C)C(=O)CC(=O)O- InChIKey
AKDXGMLXZNIGBD-UHFFFAOYSA-N- Summenformel
- C5H9NO3
- Durchschnittliche Molmasse
- 131,13 g/mol
- Monoisotopische Masse
- 131,05824315
Namen und Bezeichner
- Bevorzugter Name
- 3-(Dimethylamino)-3-oxopropanoic acid
- IUPAC
- 3-(dimethylamino)-3-oxopropanoic acid
- Englischer Name
- RARECHEM AL BO 0496
- Summenformel
- C5H9NO3
- Molmasse
- 131.13
Namen und Synonyme
2-(dimethylcarbamoyl)acetic acid42783-81-33-(dimethylamino)-3-oxopropanoic acidDTXSID701288234RefChem:495035DTXCID101718877837-767-3MFCD062080703-(dimethylamino)-3-oxo-propanoic acidpropanoic acid, 3-(dimethylamino)-3-oxomalonic acid bismethylamideSCHEMBL53024
Weitere Namen anzeigen
RARECHEM AL BO 0496malonic acid mono-N,N-dimethylamide3-(dimethylamino)-3-oxo-propanoic acid - [D86742]
N,N-Dimethyl-3-oxo-Beta-alanine3-(dimethylamino)-3-oxopropanoicacidBS-13114E88330Z963467438Propanoic acid, 3-(dimethylamino)-3-oxo-AKDXGMLXZNIGBD-UHFFFAOYSA-NSBA78381
Datenbank-Bezeichner
- CAS
42783-81-3- PubChem CID
- 13627061
- DTXSID
DTXSID701288234- EC Number
- 837-767-3
- Nikkaji
- J1.822.026A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 57,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 130
Physikochemische Eigenschaften
- Boiling point
- 280.8 · 280.8±23.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 4.14 · 4.14±0.32(Predicted)
- InChI
- InChI=1S/C5H9NO3/c1-6(2)4(7)3-5(8)9/h3H2,1-2H3,(H,8,9)
- InChIKey
- AKDXGMLXZNIGBD-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CC(N(C)C)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemie und Industrie
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