Basic information
- CAS
34124-14-6- Standard SMILES
Nc1ccccc1CCc1ccccc1N- InChIKey
ZYHQGITXIJDDKC-UHFFFAOYSA-N- Molecular formula
- C14H16N2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.13134852
Names & identifiers
- Preferred name
- 2,2'-Ethylenedianiline
- IUPAC
- 2-[2-(2-aminophenyl)ethyl]aniline
- English name
- 2,2'-Ethylenedianiline
- Molecular formula
- C14H16N2
- Molecular weight
- 212.29
Names & synonyms
34124-14-62,2'-EthylenedianilineDTXSID50187714EINECS 251-837-5NSC 159119RefChem:440299DTXCID10110205251-837-52,2'-(Ethane-1,2-diyl)dianiline2-[2-(2-aminophenyl)ethyl]aniline2,2'-DiaminobibenzylMFCD00127990
Show more names
2,2-ETHYLENEDIANILINE2,2'-Diaminobibenzyl,96%2,2''-DIAMINOBIBENZYL 96%2,7-dimethyl-9-fluorenone2,2'-Ethylenedianiline>2,2'-ETHYLENEDIANILINE 97+%ALPHA,ALPHA'-BI-O-TOLUIDINE
2-aminophenyl2,2'-DiaminodibenzylOprea1_102764MLS003106501AKOS004904700NSC-1591192-[2-(2-Aminophenyl)ethyl]phenylamineSMR001821402
Database identifiers
- CAS
34124-14-6- PubChem CID
- 98690
- DTXSID
DTXSID50187714- ChEMBL
CHEMBL2131675- UNII
- F6Z986TA3D
- EC Number
- 251-837-5
- Nikkaji
- J23.098G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 72 · 72-77 °C
- Boiling point
- 342.14 °C · 342.14°C (rough estimate)
- Density
- 1.0799 · 1.0799 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.49 · 4.49±0.10(Predicted)
- color
- Pale Yellow to Beige
- InChI
- InChI=1S/C14H16N2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-8H,9-10,15-16H2
- InChIKey
- ZYHQGITXIJDDKC-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC=C1N)CC1=CC=CC=C1N
- LogP
- 1.929 · 1.929 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37
- Hazard statements
- H302-H312-H315-H319-H332
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,2''-Ethylenedianiline is used as a reagent to synthesize Oxcarbazepine (O869250), a broad-specturm, second-generation anticonvulsant drug that is used to treat partial and complex partial seizures in children and adults. 2,2''-Ethylenedianiline is also used as a reagent to prepare a series of triterpines (e.g. Lupeol [L474850]), compounds that have chemopreventative activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers76 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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