Basic information
- CAS
655224-73-0- Standard SMILES
NCCOCCOCCNC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1- InChIKey
GRXZFFJIEQEHMA-UHFFFAOYSA-N- Molecular formula
- C15H19F3N4O3
- Average molar mass
- 360.33 g/mol
- Monoisotopic mass
- 360.14092497
Names & identifiers
- Preferred name
- N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamide
- IUPAC
- N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
- English name
- Benzamide, N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
- Molecular formula
- C15H19F3N4O3
- Molecular weight
- 360.33
Names & synonyms
655224-73-0N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamideN-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl )benzamideN-{2-[2-(2-aminoethoxy)ethoxy]ethyl}-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzamideSCHEMBL13322154TQR0898C15H19F3N4O3GRXZFFJIEQEHMA-UHFFFAOYSA-N4-CF3-diazirine-CONH-PEG2-NH2MFCD32868594BS-52854E77824
Show more names
EN300-33324942F849365N-[2-[2-(2-azanylethoxy)ethoxy]ethyl]-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzamideBenzamide, N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
Database identifiers
- CAS
655224-73-0- PubChem CID
- 58695606
- Nikkaji
- J1.989.898I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 14.09 · 14.09±0.46(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330-H302-H315-H319
- Precautionary statements
- 501 · P501-P260-P270-P271-P264-P280-P284-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P304+P340+P310-P403+P233-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H330-H302-H315-H319
- Precautionary statements
- P501-P260-P270-P271-P264-P280-P284-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P304+P340+P310-P403+P233-P405
Chemistry & industry
Suppliers16 total
泰州葛林美克医药科技有限公司15366892466 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
天津艾诺医药科技有限公司13269213627 · [email protected]
Hangzhou IKSChem Technology Co., Limited13625816949 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
Apeloa Pharmaceutical Co., Ltd.+86-0571-87635730 +8615858229168 · [email protected]
武汉翱联生物科技有限公司15841022315 15841022315 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
泰州葛林美克医药科技有限公司0514-86654616 15366892466 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
西安康福诺生物科技有限公司+86-156-80926068 +86-15680926068 · [email protected]
上海凯为化学科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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