Basic information
- CAS
2676-59-7- Standard SMILES
Nc1ccc(Oc2ccc(N)c(N)c2)cc1N- InChIKey
RQBIGPMJQUKYAH-UHFFFAOYSA-N- Molecular formula
- C12H14N4O
- Average molar mass
- 230.27 g/mol
- Monoisotopic mass
- 230.11676107
Overview
RN given refers to parent cpd; structure in first source
Names & identifiers
- Preferred name
- 3,3',4,4'-Tetraaminodiphenyl ether
- IUPAC
- 4-(3,4-diaminophenoxy)benzene-1,2-diamine
- English name
- 4,4'-oxybis(benzene-1,2-diamine)
- Molecular formula
- C12H14N4O
- Molecular weight
- 230.27
Names & synonyms
2676-59-73,3',4,4'-Tetraaminodiphenyl ether4,4'-Oxybis(benzene-1,2-diamine)A8NR6PP85T4,4'-Oxybis(1,2-benzenediamine)DTXSID90181271RefChem:90624DTXCID00103762220-226-54-(3,4-diaminophenoxy)benzene-1,2-diamine1,2-Benzenediamine, 4,4'-oxybis-BIM-0011447.P001
Show more names
4,4'-oxydi(1,2-benzenediamine)4,4'-Oxybis(1,2-phenylenediamine)3,3,4,4-TETRAAMINODIPHENYL ETHER(TADE)[2-amino-5-(3,4-diaminophenoxy)phenyl]amine4-(3,4-diaMinophenoxy)-1,2-phenylenediaMine
4,4'-oxydibenzene-1,2-diamineCBMicro_011304EINECS 220-226-5UNII-A8NR6PP85Tbis(3,4-diaminophenyl)ethercid_75887SCHEMBL296169CHEMBL1448416
Database identifiers
- CAS
2676-59-7- PubChem CID
- 75887
- DTXSID
DTXSID90181271- ChEMBL
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 147 · 147-150 °C
- Boiling point
- 477.3 · 477.3±45.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- pka
- 5.09 · 5.09±0.10(Predicted)
- InChI
- InChI=1S/C12H14N4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H,13-16H2
- InChIKey
- RQBIGPMJQUKYAH-UHFFFAOYSA-N
- SMILES
- O(C1C=C(N)C(N)=CC=1)C1C=CC(N)=C(N)C=1
- FDA UNII
- 8 NR6PP85T · A8NR6PP85T
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H315-H319-H334
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P285-P304+P341-P342+P311-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H302-H335-H315-H319-H334
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P285-P304+P341-P342+P311-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers15 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海策嵘生物科技有限公司[email protected]
Beijing CosmicKoda Chemical Technology Co.,Ltd8615311061293 15311061293 · [email protected]
常州福盟生物科技有限公司0519-89882557 13912311481
NEW SANITARY INTERNATIONAL LIMITED+86-13611854774 15502117565
上海大然化学有限公司021-64478606 15900664856 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
上海润纳化工科技有限公司13817852019
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
2 records
Compound notes
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