Basic information
- CAS
6245-50-7- Standard SMILES
Nc1ccc(OCCCCOc2ccc(N)cc2)cc1- InChIKey
LAFZPVANKKJENB-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.15247789
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Diaminodiphenoxybutane
- IUPAC
- 4-[4-(4-aminophenoxy)butoxy]aniline
- English name
- 4,4'-(1,4-Butanediyl)dioxydianiline
- Molecular formula
- C16H20N2O2
- Molecular weight
- 272.34
Names & synonyms
6245-50-7DiaminodiphenoxybutaneBenzenamine, 4,4'-[1,4-butanediylbis(oxy)]bis-DTXSID40211491Benzenamine, 4,4'-(1,4-butanediylbis(oxy))bis-RefChem:586211DTXCID401339824,4'-(Butane-1,4-diylbis(oxy))dianiline4-[4-(4-aminophenoxy)butoxy]aniline4,4'-(1,4-butanediyl)dioxydianiline1,4-bis(4-aminophenoxy)butaneMFCD00088690
Show more names
DA4MGbeta,beta'-Bi-p-phenetidine4,4'-(Butane-1,4-diylbis(oxy)4,4'-(1,4-butyldioxy)dibenzeneamine1,4-bis(4-aminophenoxy)butane (DA4MG)4,4''-(1,4-BUTANEDIYL)DIOXYDIANILINE ,98%
4,4'-[Butane-1,4-diylbis(oxy)]dianilineSCHEMBL563017orb3175930WLZ5145GAA245501,4-bis[4,4'-aminophenoxy]butaneAKOS024319311DS-3374
Database identifiers
- CAS
6245-50-7- PubChem CID
- 53351
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 171 °C · 171 °C
- Boiling point
- 502.027 · 502.027±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.154 · 1.154
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 5.509 · 5.509±0.10(predicted)
- InChI
- InChI=1S/C16H20N2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,1-2,11-12,17-18H2
- InChIKey
- LAFZPVANKKJENB-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=C(N)C=C1)CCCOC1=CC=C(N)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers45 total
上海莉凯化工技术有限公司16628776521 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Xiamen AmoyChem Co., Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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