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| CAS No.: | 501-68-8 |
|---|---|
| Name: | Beclamide |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C10H12 Cl N O |
| Molecular Weight: | 197.664 |
| Synonyms: | Propionamide,N-benzyl-3-chloro- (6CI,7CI,8CI); Beclamid; Beclamide; Beklamid; Chloracon;Chlorakon; Chloroethylphenamide; Hibicon; N-(3-Chloropropionyl)benzylamine;N-Benzyl-3-chloropropionamide; N-Benzyl-b-chloropropanamide; N-Benzyl-b-chloropropionamide; NSC 67062;Neuracen; Nidrane; Nydran; Nydrane; Posedrine; Seclar |
| Density: | 1.145g/cm3 |
| Melting Point: | 94° |
| Boiling Point: | 386.9°Cat760mmHg |
| Flash Point: | 187.8°C |
| Safety: | Moderately toxic by ingestion, intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx. An anticonvulsant. |
| PSA: | 29.10000 |
| LogP: | 2.32260 |
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Chemistry
Molecule structure of N-Benzyl-beta-chloropropanamide (CAS NO.501-68-8):
IUPAC Name: N-Benzyl-3-chloropropanamide
Molecular Weight: 197.66138 g/mol
Molecular Formula: C10H12ClNO
Density: 1.145 g/cm3
Boiling Point: 386.9 °C at 760 mmHg
Flash Point: 187.8 °C
Index of Refraction: 1.532
Molar Refractivity: 53.54 cm3
Molar Volume: 172.5 cm3
Polarizability: 21.22×10-24 cm3
Surface Tension: 40.3 dyne/cm
Enthalpy of Vaporization: 63.59 kJ/mol
Vapour Pressure: 3.42E-06 mmHg at 25 °C
XLogP3: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 197.060742
MonoIsotopic Mass: 197.060742
Topological Polar Surface Area: 29.1
Heavy Atom Count: 13
Complexity: 155
Canonical SMILES: C1=CC=C(C=C1)CNC(=O)CCCl
InChI: InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey: JPYQFYIEOUVJDU-UHFFFAOYSA-N
EINECS: 207-927-1
Toxicity Data With Reference
| 1. | orl-rat LD50:3200 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 107 (1953),403. | ||
| 2. | ipr-rat LD50:770 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 107 (1953),403. | ||
| 3. | ivn-rat LD50:770 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,384. | ||
| 4. | orl-mus LD50:1000 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). 14 (1980),99. | ||
| 5. | ipr-mus LD50:650 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,384. |
Safety Profile
Moderately toxic by ingestion, intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx. An anticonvulsant.
Specification
N-Benzyl-beta-chloropropanamide (CAS NO.501-68-8) is also named as 3-Chloro-N-(phenylmethyl)propanamide ; 4-12-00-02234 (Beilstein Handbook Reference) ; BRN 2720702 ; Beclamid ; Beclamida ; Beclamida [INN-Spanish] ; Beclamide ; Beclamidum ; Beclamidum [INN-Latin] ; Beklamid ; Benxchlorpropamide ; Benzchlorpropamid ; Benzchlorpropamide ; Benzochlorpropamid ; Benzylamide ; Chloracon ; Chlorakon ; Chlorakon (VAN) ; Chloroethylphenamide ; Chloropropionamide ; Hibicon ; Khlorakon ; N-(3-Chloropropionyl)benzylamine ; N-Benzyl-3-chloropropionamide ; N-Benzyl-beta-chloropropionamide ; NSC 67062 ; Neuracen ; Nidrane ; Nydran ; Nydrane ; Posedrin ; Posedrine ; Seclar ; UNII-F5N0ALI65V . N-Benzyl-beta-chloropropanamide (CAS NO.501-68-8) is moderate toxic. It is flammable. It will produce toxic nitrogen oxide and chloride smoke when buring. So the storage environment should be ventilate, low-temperature and dry.