Product Name

  • Name

    Antergan

  • EINECS
  • CAS No. 961-71-7
  • Article Data7
  • CAS DataBase
  • Density 1.038g/cm3
  • Solubility
  • Melting Point
  • Formula C17H22 N2
  • Boiling Point 375.9°Cat760mmHg
  • Molecular Weight 254.375
  • Flash Point 166.2°C
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous, intraperitoneal, and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 961-71-7 (Antergan)
  • Hazard Symbols
  • Synonyms 1,2-Ethanediamine,N,N-dimethyl-N'-phenyl-N'-(phenylmethyl)- (9CI); Ethylenediamine,N-benzyl-N',N'-dimethyl-N-phenyl- (7CI,8CI); 2339 RP; Antergan; Bridal;Dimetina; Lergitin; N-Benzyl-N',N'-dimethyl-N-phenylethylenediamine; PM 245;Phenbenzamine
  • PSA 6.48000
  • LogP 3.25480

N-Benzyl-N',N'-dimethyl-N-phenylethylenediamine Chemical Properties

Molecule structure of N-Benzyl-N',N'-dimethyl-N-phenylethylenediamine (CAS NO.961-71-7):

IUPAC Name: N-Benzyl-N',N'-dimethyl-N-phenylethane-1,2-diamine 
Molecular Weight: 254.36998 g/mol
Molecular Formula: C17H22N2 
Density: 1.038 g/cm3 
Boiling Point: 375.9 °C at 760 mmHg 
Flash Point: 166.2 °C
Index of Refraction: 1.59
Molar Refractivity: 82.67 cm3
Molar Volume: 244.8 cm3
Polarizability: 32.77×10-24 cm3
Surface Tension: 42.8 dyne/cm 
Enthalpy of Vaporization: 62.35 kJ/mol
Vapour Pressure: 7.52E-06 mmHg at 25 °C
XLogP3: 3.7
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 254.178299
MonoIsotopic Mass: 254.178299
Topological Polar Surface Area: 6.5
Heavy Atom Count: 19
Complexity: 227
Canonical SMILES: CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=C2
InChI: InChI=1S/C17H22N2/c1-18(2)13-14-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12H,13-15H2,1-2H3
InChIKey: CHOBRHHOYQKCOU-UHFFFAOYSA-N

N-Benzyl-N',N'-dimethyl-N-phenylethylenediamine Toxicity Data With Reference

1.    

ipr-rat LDLo:120 mg/kg

    BJPCAL    British Journal of Pharmacology and Chemotherapy. 11 (1956),1.
2.    

ims-rat LDLo:350 mg/kg

    FRPSAX    Farmaco, Edizione Scientifica. 13 (1958),3.
3.    

ipr-mus LD50:170 mg/kg

    FRPSAX    Farmaco, Edizione Scientifica. 13 (1958),3.
4.    

scu-mus LD50:400 mg/kg

    BJPCAL    British Journal of Pharmacology and Chemotherapy. 11 (1956),1.

N-Benzyl-N',N'-dimethyl-N-phenylethylenediamine Safety Profile

Poison by subcutaneous, intraperitoneal, and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx.

N-Benzyl-N',N'-dimethyl-N-phenylethylenediamine Specification

 N-Benzyl-N',N'-dimethyl-N-phenylethylenediamine (CAS NO.961-71-7) is also named as 2339 RP ; 4-12-00-02324 (Beilstein Handbook Reference) ; Antergan ; BRN 2738634 ; Bridal ; Dimetina ; Lergitin ; NCI-C60719 ; PM 245 ; PM245 ; Phenbenzamine ; RP 2339 ; 1,2-Ethanediamine, N,N-dimethyl-N'-phenyl-N'-(phenylmethyl)- ; 1,2-Ethanediamine, N,N-dimethyl-N'-phenyl-N'-(phenylmethyl)- . N-Benzyl-N',N'-dimethyl-N-phenylethylenediamine (CAS NO.961-71-7) is liquid. N-Benzyl-N',N'-dimethyl-N-phenylethylenediamine neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. N-Benzyl-N',N'-dimethyl-N-phenylethylenediamine is toxic. Hazardous decomposition products. So the storage environment should be ventilate, low-temperature and dry. Keep N-Benzyl-N',N'-dimethyl-N-phenylethylenediamine separate from raw materials of food.

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