Basic information
- CAS
98786-26-6- Standard SMILES
CCCNC(=O)NCC#CC#CCNC(=O)NCCC- InChIKey
BATDZCKEUFDZOY-UHFFFAOYSA-N- Molecular formula
- C14H22N4O2
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.17427596
Names & identifiers
- Preferred name
- Urea, N,N''-2,4-hexadiyne-1,6-diylbis(N'-propyl-
- IUPAC
- 1-propyl-3-[6-(propylcarbamoylamino)hexa-2,4-diynyl]urea
- English name
- 1,1'-(Hexa-2,4-diyne-1,6-diyl)bis(3-propylurea)
- Molecular formula
- C14H22N4O2
- Molecular weight
- 278.35
Names & synonyms
98786-26-61,1'-(Hexa-2,4-diyne-1,6-diyl)bis(3-propylurea)Urea, N,N''-2,4-hexadiyne-1,6-diylbis(N'-propyl-SCHEMBL284126901-propyl-3-[6-(propylcarbamoylamino)hexa-2,4-diynyl]ureaDTXSID10243805BATDZCKEUFDZOY-UHFFFAOYSA-NMFCD31704911AB89668CS-0457817N,N'-Hexa-2,4-diyne-1,6-diylbis(N'-propylurea)Urea, N,N''-2,4-hexadiyne-1,6-diylbis[N'-propyl-
Database identifiers
- CAS
98786-26-6- PubChem CID
- 11680702
- DTXSID
DTXSID10243805
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 578.8 · 578.8±35.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 11.98 · 11.98±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers2 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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