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HCID 2332Erstellt: 26. Oktober 2026

Benzamidine

.beta.-allo-2-Octulopyranose, 2,7-anhydro-1,4,8-trideoxy-5-O-(phenylmethyl)- · β-allo-2-Octulopyranose, 2,7-anhydro-1,4,8-trideoxy-5-O-(phenylmethyl)- (9CI)

https://huagongshe.com/de/chemical/2332

Molekülstruktur von Benzamidine

Identifikatoren & physikalische Daten

CAS No.123920-06-9
SummenformelC7H8N2
Durchschnittliche Molmasse120,15 g/mol
Monoisotopische Masse120,06874826 g/mol
SMILESN=C(N)c1ccccc1
InChIKeyPXXJHWLDUBFPOL-UHFFFAOYSA-N
PubChem CID2332
ChEMBLCHEMBL20936
ChEBICHEBI:41033
EC No.210-546-3
DTXSIDDTXSID8045012

Chemische & physikalische Eigenschaften

XLogP0,7
Polarare Oberfläche (TPSA)49,9
H-Brücken-Donoren2
H-Brücken-Akzeptoren1
Frei drehbare Bindungen1
Schwere Atome9
Formalladung0
Komplexität103
Löslichkeit>18 [ug/mL] (The mean of the results at pH 7.4)
Ionization EfficiencyPositive3.472.7Agilent XCTElectrospray ionizationformic acid (5.3nM)
Collision Cross Section124.7 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID9044401]125.0 Ų [M+H]+ [CCS Type: DTIonization: ESI+
Siedepunkt387.6±42.0 °C(Predicted)
Dichte1.20±0.1 g/cm3(Predicted)
pKa (Säurekonstante)14.51±0.70(Predicted)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (54.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (54.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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 90 reports by companies from 4 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.
Regulatorische Informationen.beta.-allo-2-Octulopyranose, 2,7-anhydro-1,4,8-trideoxy-5-O-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standardBenzenecarboximidamide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (54.4%)Eye Irrit. 2 (100%)STOT SE 3 (54.4%)