Basic information
- Standard SMILES
N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1- InChIKey
PONXTPCRRASWKW-KBPBESRZSA-N- Molecular formula
- C14H16N2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.13134852
Names & identifiers
- Preferred name
- (1S,2S)-1,2-diphenylethane-1,2-diamine
- IUPAC
- (1S,2S)-1,2-diphenylethane-1,2-diamine
- English name
- 1,2-Diphenylethylenediamine
- Molecular formula
- C14H16N2
- Molecular weight
- 212.29
Names & synonyms
Show more names
Database identifiers
- CAS
16635-95-3、29841-69-8- PubChem CID
- 6931238
- DTXSID
DTXSID20426127- ChEMBL
CHEMBL467308- UNII
- 9BB7UW58PU、W52J5QHV92
- EC Number
- 605-438-1、608-420-1
- Nikkaji
- J276.439C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 123 · 123-125 °C(lit.)
- Boiling point
- 305 · 305-307 °C744 mm Hg(lit.)
- Density
- 0.97 g/mL · 0.97 g/mL at 25 °C(lit.)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 9.78 · 9.78±0.10(Predicted)
- color
- White to Yellow to Orange
- CAS DataBase Reference
- 16635 · 16635-95-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-36-51/53
- Safety Statements
- 26 · 26-36/37-61
- RIDADR
- 2735 · 2735
- WGK Germany
- 2 · 2
- RTECS
- 4926500 · WJ4926500
- HS Code
- 2921.59 · 2921.59.8090
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (89.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (89.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%)
Skin Irrit. 2 (91.8%);Eye Irrit. 2 (89.8%);STOT SE 3 (89.8%)
Safety data
- wgk
- 2
- rtecs
- WJ4926500
- ridadr
- 2735
- hs_code
- 2921.59.8090
- risk_code
- 22-36-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,N
- safety_code
- 26-36/37-61
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses1,2-Diphenylethylenediamine (DPE) has been found to react in a neutral medium with catecholamines and other catechol compounds in the presence of hexacyanoferrate(III) to give a compound that fluoresces intensely. The reaction is accelerated by amino acids such as glycine. Nohta et al. described a sensitive spectrofluorimetric method for determining catecholamines with 1,2diphenylethylenediamine. The method is based on the reaction of catechol compounds in a neutral medium with 1,2-diphenylethylenediamine in the presence of hexacyanoferrate(II1) and glycine at ambient temperature. The fluorescence shows excitation and emission maxima around 345 and 480 nm, respectively. The method is simple, selective for catechol compounds, and very sensitive. Catecholamines can be determined at concentrations as low as 15-20 pmol ml-1[1].
Upstream & downstream products
Downstream products
Suppliers50 total
Related reactions
Linked notes
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