Grundinformationen
- Standard-SMILES
CC(=O)Nc1ccccc1C(=O)O- InChIKey
QSACCXVHEVWNMX-UHFFFAOYSA-N- Summenformel
- C9H9NO3
- Durchschnittliche Molmasse
- 179,17 g/mol
- Monoisotopische Masse
- 179,05824315
Überblick
N-acetylanthranilic acid is an amidobenzoic acid consisting of anthranilic acid carrying an N-acetyl group. It is functionally related to an anthranilic acid. It is a conjugate acid of a N-acetylanthranilate.
Namen und Bezeichner
- Bevorzugter Name
- N-acetylanthranilic acid
- IUPAC
- 2-acetamidobenzoic acid
- Lokaler Name
- 2-Acetamidobenzoesure
- Englischer Name
- N-Acetylanthranilic acid
- Summenformel
- C9H9NO3
- Molmasse
- 179.17
Namen und Synonyme
N-ACETYLANTHRANILIC ACID2-Acetamidobenzoic acid89-52-12-(Acetylamino)benzoic acid2-Carboxyacetanilideo-Acetamidobenzoic acidBenzoic acid, 2-(acetylamino)-o-Acetoaminobenzoic acidN-Acetylanthranilate2-(Acetylamino)-benzoic acidP1IE9J75C2NSC-4000
Weitere Namen anzeigen
AKOS 92175Lappaconiticacid2-acetamidobenzoateN-Acetylantranilzuuracetylanthranilicacid2-ACETAMIDOBENOIC ACIDo-acetamidoanthranilicn-acetyl-anthranilicaci
NSC-17831DTXSID9058991CHEBI:36555DEA NO. 8522CHEBI:16803RefChem:927025DTXCID3048659201-914-4
Datenbank-Bezeichner
- CAS
89-52-1- PubChem CID
- 6971
- DTXSID
DTXSID9058991- ChEBI
CHEBI:36555- UNII
- P1IE9J75C2
- EC Number
- 201-914-4
- Nikkaji
- J60.455K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 66,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 215
Physikochemische Eigenschaften
- Schmelzpunkt
- 184 · 184-187 °C(lit.)
- Siedepunkt
- 311.69 °C · 311.69°C (rough estimate)
- Dichte
- 1.2822 · 1.2822 (rough estimate)
- Brechungsindex
- 1.56 · 1.5600 (estimate)
- Löslichkeit
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 0.5 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 1 · pK1: 3.63 (25°C)
- Wasserlöslichkeit
- slightly soluble
- BRN
- 880371 · 880371
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- CAS Datenbank
- 89 · 89-52-1(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Benzoic acid, 2-(acetylamino)- (89-52-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
Hazard Classes and CategoriesAcute Tox. 4 (98.6%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29242300
- RTECS-Nr.
- CB2455000
- risk_code
- 22-36/37/38
- Toxizität
- LD50 orl-mus: 1114 mg/kg FRPSAX 38,847,83
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 36-37/39-26
Chemie und Industrie
Verwendung und Herstellung
DEA Listed Chemicals
N-Acetylanthranilic acid, its esters, and its salts
A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)
General Manufacturing InformationBenzoic acid, 2-(acetylamino)-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: An amidobenzoic acid consisting of anthranilic acid carrying an N-acetyl group.
Zugehörige Reaktionen
7
Verknüpfte Notizen
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