2-Amino-5-methylbenzamide

HCID 10329436CAS 40545-33-3

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Grundinformationen

Standard-SMILES: Cc1ccc(N)c(C(N)=O)c1
InChIKey: LLSGVPKOCZZLTF-UHFFFAOYSA-N
Summenformel: C8H10N2O
Durchschnittliche Molmasse: 150,18 g/mol
Monoisotopische Masse: 150,07931295

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-methylbenzamide
IUPAC: 2-amino-5-methylbenzamide
Englischer Name: 2-Amino-5-methylbenzamide
Summenformel: C8H10N2O
Molmasse: 150.18

Namen und Synonyme

2-Amino-5-methylbenzamide40545-33-3DTXSID50438112RefChem:255736DTXCID80388934801-589-4MFCD03428521Benzamide, 2-amino-5-methyl-2-amino-5-methyl-benzamide5-methylanthranilamideCS-W0215692-Amino-5-methylbenzamide, AldrichCPR

Weitere Namen anzeigen

Benzamide, 2-amino-5-methyl- (9CI)2-AMINO-5-METHYLBENZAMIDE ISO 9001：2015 REACH

SB76188AC-16294DS-13963SY107415EN300-253963Z992346212FT-0639649SCHEMBL688411

Datenbank-Bezeichner

CAS: 40545-33-3
PubChem CID: 10329436
DTXSID: DTXSID50438112
EC Number: 801-589-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 69,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Schmelzpunkt: 178 · 178-180°C
Siedepunkt: 265.7 · 265.7±28.0 °C(Predicted)
Dichte: 1.185 · 1.185±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 15.88 · 15.88±0.50(Predicted)
Aggregatzustand: solid
InChI: 1S/C8H10N2O/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKey: LLSGVPKOCZZLTF-UHFFFAOYSA-N
SMILES: Cc1ccc(N)c(c1)C(N)=O
CAS Datenbank: 40545 · 40545-33-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.