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| CAS No.: | 961-71-7 |
|---|---|
| Name: | Antergan |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C17H22 N2 |
| Molecular Weight: | 254.375 |
| 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 |
| Density: | 1.038g/cm3 |
| Boiling Point: | 375.9°Cat760mmHg |
| Flash Point: | 166.2°C |
| Safety: | Poison by subcutaneous, intraperitoneal, and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 6.48000 |
| LogP: | 3.25480 |
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Chemistry
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
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. |
Safety Profile
Poison by subcutaneous, intraperitoneal, and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx.
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.