Product Name

  • Name

    Beclamide

  • EINECS
  • CAS No. 501-68-8
  • Article Data13
  • CAS DataBase
  • Density 1.145g/cm3
  • Solubility
  • Melting Point 94°
  • Formula C10H12 Cl N O
  • Boiling Point 386.9°Cat760mmHg
  • Molecular Weight 197.664
  • Flash Point 187.8°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion, intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx. An anticonvulsant.
  • Risk Codes
  • Molecular Structure Molecular Structure of 501-68-8 (Beclamide)
  • Hazard Symbols
  • 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
  • PSA 29.10000
  • LogP 2.32260

N-Benzyl-beta-chloropropanamide Chemical Properties

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

N-Benzyl-beta-chloropropanamide 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.

N-Benzyl-beta-chloropropanamide 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.

N-Benzyl-beta-chloropropanamide 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.

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