Benzamidiniumchlorid

Benzamidine, hydrochloride

HCID 80289CAS 1670-14-0

Grundinformationen

Standard-SMILES
Cl.N=C(N)c1ccccc1
InChIKey
LZCZIHQBSCVGRD-UHFFFAOYSA-N
Summenformel
C7H8N2.ClH
Durchschnittliche Molmasse
156,61 g/mol
Monoisotopische Masse
156,04542597

Namen und Bezeichner

Bevorzugter Name
Benzamidine, hydrochloride
IUPAC
benzenecarboximidamide;hydrochloride
Lokaler Name
Benzamidiniumchlorid
Englischer Name
Benzamidine hydrochloride
Summenformel
C7H9ClN2
Molmasse
156.61

Namen und Synonyme

Benzamidine hydrochloride1670-14-0Benzenecarboximidamide, monohydrochlorideAmidinobenzene hydrochlorideBenzamidine, hydrochlorideBenzamidine, monohydrochlorideAmidinobenzene hydrochloride (1:1)DTXSID9044401Benzenecarboximidamide, hydrochloride (1:1)NSC-20200G112W4L27DTXCID7024401
Weitere Namen anzeigen
benzamidine hydroxychlorides-dimethylesterBENZAMIDE HCL H2OBenzamidine hydrochlbenzamidiniumchlorideenzamidine hydrochloride
RefChem:563020216-795-4Benzimidamide hydrochlorideBENZAMIDINE HCLBenzenecarboximidamide hydrochlorideBenzamidinium chloride477904-89-5MFCD00013025

Datenbank-Bezeichner

CAS
1670-14-0
PubChem CID
80289
DTXSID
DTXSID9044401
ChEMBL
CHEMBL537204
UNII
0G112W4L27
EC Number
216-795-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
49,9 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Vapor Pressure0.02 [mmHg]
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
86 · 86-88 °C(lit.)
storage temp.
2 · 2-8°C
Löslichkeit
25 mg/mlDMSO: · DMF: 25 mg/mlDMSO: 25 mg/mlEthanol: 10 mg/mlPBS (pH 7.2): 3 mg/ml
Aggregatzustand
Powder
Farbe
White to off-white
PH
4 to · 4.0 to 6.5(50g/L, 25 ℃)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 166 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzenecarboximidamide, monohydrochloride

Status: Active Update: 24-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24030

Benzenecarboximidamide, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses somnolence and lung changes in intraperitoneal lethal-dose studies of mice (LD50 = 580 mg/kg); [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Pentamidine isethionate.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F
3-21
wgk
3
tsca
TSCA listed
hs_code
29252900
RTECS-Nr.
CV6260000
risk_code
36/37/38

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationExogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES.

Verwendung und Herstellung

General Manufacturing InformationBenzenecarboximidamide, hydrochloride (1:1): ACTIVE
Anwendungen · 2 Einträge

BeschreibungBenzamidine hydrochloride is a reversible inhibitor of trypsin, trypsin-like enzymes, and serine proteases. A concentration of approximately 1 mM is used for general protease inhibition. To inhibit proteases from yeast, a range of 0.5 to 4.0 mM is used and it is for the most part interchangeable with pepstatin A.In addition to being a strong competitive inhibitor of trypsin, benzamidine HCl has been also shown to be a strong competitive inhibitor of thrombin and plasmin. It was also found to be as effective as aprotinin in the prevention of glucagon degradation in human plasma.

VerwendenBenzamidine is a reversible inhibitor of serine proteases, including trypsin, plasmin, and thrombin (Kis = 35, 350, and 220 μM, respectively). In addition to its use as a general serine protease inhibitor, benzamidine is used, when immobilized, to purify novel proteases.

Darstellung · 1 Eintrag

synthetischeTo a stainless steel rocking autoclave equipped with a stirrer is added 103.0 gm (1.0 mole) of benzonitrile, 214.0 gm (4.0 mole) of ammonium chloride, and 306.0 gm (18.0 mole) of ammonia is introduced by means of a transfer bomb. The reaction mixture is heated at 150°C for 18 hr (pressure: 1300-6500 psig), cooled, and, with appropriate precautions for the safe control of the excess ammonia, is vented to atmospheric pressure. The reaction mixture is extracted with ether to remove approximately 5% unreacted benzonitrile, and then extracted with hot acetonitrile or ethanol to separate the amidine hydrochloride from the unreacted ammonium chloride. Concentration of the latter affords 120.5 gm (77%) of benzamidine hydrochloride, m.p. 161-163°C.

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