Grundinformationen
- Standard-SMILES
CC(=O)Nc1ccc(N)c(C(=O)O)c1- InChIKey
GSOHXJQXAKNJES-UHFFFAOYSA-N- Summenformel
- C9H10N2O3
- Durchschnittliche Molmasse
- 194,19 g/mol
- Monoisotopische Masse
- 194,06914218
Namen und Bezeichner
- Bevorzugter Name
- Benzoic acid, 5-(acetylamino)-2-amino-
- IUPAC
- 5-acetamido-2-aminobenzoic acid
- Lokaler Name
- 5-(Acetylamino)-2-aminobenzoesure
- Englischer Name
- 5-Acetamidoanthranilic acid
- Summenformel
- C9H10N2O3
- Molmasse
- 194.19
Namen und Synonyme
50670-83-25-Acetamido-2-aminobenzoic acid5-Acetamidoanthranilic AcidBenzoic acid, 5-(acetylamino)-2-amino-5-(Acetylamino)-2-aminobenzoic acidEINECS 256-702-4DTXSID5068574RefChem:566100DTXCID5040887256-702-42-amino-5-acetamidobenzoic acidMFCD00060120
Weitere Namen anzeigen
5-Acetylaminoanthanilic acid5-ACETYLAMINO ANTHRANILIC ACID5-Acetamidoanthranilic Acid >2-Amino-5-Acetamino Benzoic Acid5-Acetamide-2-Amino-benzoic acid5-Acetamide-2-Amine-benzoic acid
5-Acetamido-2-aminobenzoic acid;5-Acetamido-2-aminobenzoic acid5-Acetamido-2-aminobenzoicacid5-acetamido-2-amino-benzoic acid3ULJ2S9XEFSCHEMBL2584395-Acetamino-2-aminobenzoicacidSCHEMBL315974912-Amino-5-acetamino benzoic acid
Datenbank-Bezeichner
- CAS
50670-83-2- PubChem CID
- 170890
- DTXSID
DTXSID5068574- UNII
- 3ULJ2S9XEF
- EC Number
- 256-702-4
- Nikkaji
- J62.002E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 92,4 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 242
Physikochemische Eigenschaften
- Schmelzpunkt
- 230 °C · 230°C (dec.)
- Siedepunkt
- 365.8 · 365.8±32.0 °C(Predicted)
- Dichte
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- powder to crystal
- pka
- 1.99 · 1.99±0.10(Predicted)
- Farbe
- White to Gray to Brown
- BRN
- 2726882 · 2726882
- CAS Datenbank
- 50670 · 50670-83-2(CAS DataBase Reference)
- EPA chemische Informationen
- 5 · Benzoic acid, 5-(acetylamino)-2-amino- (50670-83-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (88.6%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2924.29.7790
- risk_code
- 36/37/38-22
- hazard_code
- Xn
- safety_code
- 26-36/37/39
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzoic acid, 5-(acetylamino)-2-amino-: INACTIVE
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