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16635-95-3

Basic Information
CAS No.: 16635-95-3
Name: 1,2-Diphenylethylenediamine
Article Data: 46
Molecular Structure:
Molecular Structure of 16635-95-3 (1,2-Diphenylethylenediamine)
Formula: C14H16N2
Molecular Weight: 212.294
Synonyms: NSC 167211;(1R,2R)-1,2-Diphenyl-1,2-ethanediamine;
EINECS: 203-098-5
Density: 1.107 g/cm3
Melting Point: 123-125 °C(lit.)
Boiling Point: 353.885 °C at 760 mmHg
Flash Point: 199.9 °C
Hazard Symbols: HarmfulXn, DangerousN
Risk Codes: 22-36-51/53
Safety: 26-36/37-61
PSA: 52.04000
LogP: 3.78700
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Chemistry


IUPAC Name: 1,2-Diphenylethane-1,2-diamine
Canonical SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N
InChI: InChI=1S/C14H16N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H,15-16H2
InChIKey: PONXTPCRRASWKW-UHFFFAOYSA-N
Molecular Weight: 212.29024 [g/mol]
Molecular Formula: C14H16N2
XLogP3-AA: 1.4
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 212.131349
MonoIsotopic Mass: 212.131349
Topological Polar Surface Area: 52
Heavy Atom Count: 16
Complexity: 17
EINECS: 203-098-5 
storage temp.: 2-8 °C
Index of Refraction: 1.619
Molar Refractivity: 67.36 cm3
Molar Volume: 191.8 cm3
Surface Tension: 50.5 dyne/cm
Density: 1.106 g/cm3
Flash Point: 199.9 °C
Enthalpy of Vaporization: 59.89 kJ/mol
Boiling Point: 353.9 °C at 760 mmHg
Vapour Pressure: 3.48E-05 mmHg at 25 °C
Melting Point of 1,2-Diphenylethylenediamine (CAS NO.16635-95-3): 123-125 °C(lit.)

Safety Profile

Hazard Codes: HarmfulXn,DangerousN
Risk Statements: 22-36-51/53
"R22:Harmful if swallowed. 
R36:Irritating to eyes. 
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-36/37-61 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: 2735
WGK Germany: 2
RTECS of 1,2-Diphenylethylenediamine (CAS NO.16635-95-3): WJ4926500

Specification

 1,2-Diphenylethylenediamine (CAS NO.16635-95-3), its Synonyms are 1,2-Diphenyl-1,2-ethanediamine ; 1,2-Diphenylethane-1,2-diamine ; 1,2-Ethanediamine, 1,2-diphenyl- ; 1,2-Ethanediamine, 1,2-diphenyl-, (R*,S*)- ; (+/-)-1,2-Diphenylethylenediamine .