Basic information
- CAS
66750-10-5- Standard SMILES
c1ccc(N2CCOCCOCCOCCOCC2)cc1- InChIKey
SGDQOAKAHLFKBV-UHFFFAOYSA-N- Molecular formula
- C16H25NO4
- Average molar mass
- 295.37 g/mol
- Monoisotopic mass
- 295.17835828
Names & identifiers
- Preferred name
- 13-Phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
- IUPAC
- 13-phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
- English name
- N-PHENYLAZA-15-CROWN 5-ETHER
- Molecular formula
- C16H25NO4
- Molecular weight
- 295.37
Names & synonyms
66750-10-513-Phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecaneN-phenylaza-15-crown-5EINECS 266-470-61,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-phenyl-SGDQOAKAHLFKBV-UHFFFAOYSA-DTXSID40216885RefChem:437434DTXCID70139376266-470-6InChI=1/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2N-Phenylaza-15-crown 5-Ether
Show more names
PHENYLAZA-15-CROWN-5LABOTEST-BB LT00441378Phenylaza-15-crown-5,98%-Phenylaza-15-crown 5-EtherN-Phenylaza-15-crown5-Ether>CROWN ETHER/N-PHENYLAZA-15-CROWN-5CROWN ETHER/N-PHENYLAZA-15-CROWN-5 FOR S
MFCD00040513BBH748YTP2Oprea1_613232MLS000768651N-phenylaza-15-crown-5 etherCHEMBL1725677SCHEMBL10070835HMS2804N16
Database identifiers
- CAS
66750-10-5- PubChem CID
- 626432
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 230
Experimental & physicochemical properties
Solubility>44.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 46 °C · 46 °C
- Boiling point
- 437.06 °C · 437.06°C (rough estimate)
- Density
- 1.0647 · 1.0647 (rough estimate)
- refractive index
- 1.4909 · 1.4909 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- almost transparency in Methanol
- form
- powder to crystal
- pka
- 5.16 · 5.16±0.40(Predicted)
- color
- White to Light yellow to Light red
- InChI
- 1S/C16H25NO4/c1-2-4-16(5-3-1)17-6-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h1-5H,6-15H2
- InChIKey
- SGDQOAKAHLFKBV-UHFFFAOYSA-N
- SMILES
- N2(CCOCCOCCOCCOCC2)c1ccccc1
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 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Hazard information
Regulatory Information13-Phenyl-1,4,7,10-tetraoxa-13-azacyclopentadecane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- wgk
- WGK 3
- hs_code
- 2934.99.4400
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Suppliers33 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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