Basic information
- CAS
621-95-4- Standard SMILES
Nc1ccc(CCc2ccc(N)cc2)cc1- InChIKey
UHNUHZHQLCGZDA-UHFFFAOYSA-N- Molecular formula
- C14H16N2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.13134851
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 4,4'-Ethylenedianiline
- IUPAC
- 4-[2-(4-aminophenyl)ethyl]aniline
- English name
- 4,4'-Ethylenedianiline
- Molecular formula
- C14H16N2
- Molecular weight
- 212.29
Names & synonyms
4,4'-Ethylenedianiline621-95-44,4'-Diaminodibenzyl4,4'-Ethylenebis(aniline)Benzenamine, 4,4'-(1,2-ethanediyl)bis-1,2-Bis(4-Aminophenyl)ethaneNSC-44062DTXSID3060742NSC-580NSC-60033S78Y4P4C7LRefChem:96226
Show more names
FR-2210AKOS AUF02044DOWEX(R) HCR-W2Ethylenedianiline-EthylenedianilineTIMTEC-BB SBB008520α,α'-bi-p-toluidineA,A'-BI-P-TOLUIDINE
DTXCID3043237210-716-74,4'-Diaminobibenzyl4,4'-(ethane-1,2-diyl)dianiline4-[2-(4-aminophenyl)ethyl]anilineAniline, 4,4'-ethylenedi-1,2-Bis(p-aminophenyl)ethanealpha,alpha'-Bi-p-toluidine
Database identifiers
- CAS
621-95-4- PubChem CID
- 12138
- DTXSID
DTXSID3060742- ChEMBL
CHEMBL1704183- UNII
- S78Y4P4C7L
- EC Number
- 210-716-7
- Nikkaji
- J47.721D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Solubility22 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 133 · 133-137 °C(lit.)
- Boiling point
- 342.14 °C · 342.14°C (rough estimate)
- Density
- 0.9678 · 0.9678 (rough estimate)
- vapor pressure
- 0.001 Pa · 0.001Pa at 20℃
- refractive index
- 1.44 · 1.4400 (estimate)
- storage temp.
- room temp
- form
- Powder
- pka
- 5.17 · 5.17±0.10(Predicted)
- color
- White to Gray to Brown
- BRN
- 394999 · 394999
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- InChI=1S/C14H16N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2,15-16H2
- InChIKey
- UHNUHZHQLCGZDA-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(N)C=C1)CC1=CC=C(N)C=C1
- LogP
- 2.25 at · 2.25 at 23℃ and pH7.7-8.6
- CAS DataBase Reference
- 621 · 621-95-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 4 · Benzenamine, 4,4'-(1,2-ethanediyl)bis-(621-95-4)
- EPA Substance Registry System
- 4 · Benzenamine, 4,4'-(1,2-ethanediyl)bis- (621-95-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 2 · 2
- RTECS
- 200000 · BY0200000
- TSCA
- TSCA listed
- HS Code
- 2921.59 · 2921.59.8090
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (61.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 80 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 08-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20895
Hazard Classes and CategoriesSkin Irrit. 2 (61.3%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BY0200000
- hs_code
- 2921.59.8090
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4,4'-(1,2-ethanediyl)bis-: ACTIVE
Applications
Uses4,4'-Ethylenedianiline is used as a reagent in the synthesis of new substituted Bis[2-Imino-3(substituted)-4-phenyl-3H-thiazole] derivativatives and in evaluation of their antibacterial activity.
Uses4,4''-Ethylenedianiline is used as a reagent in the synthesis of new substituted Bis[2-Imino-3(substituted)-4-phenyl-3H-thiazole] derivativatives and in evaluation of their antibacterial activity.
Uses4,4′-Ethylenedianiline may be used as an internal standard for the determination of 4,4′-methylenedianiline in urine samples using gas chromatography coupled with mass spectrometry (GC-MS).
Suppliers100 total
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Related reactions
3 records
Compound notes
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