2,5,12,15,18-Pentaoxatricyclo[17.4.0.06,11]tricosa-1(19),6(11),7,9,20,22-hexaene-8,22-diamine
Basic information
- CAS
245086-08-2- Standard SMILES
Nc1ccc2c(c1)OCCOc1cc(N)ccc1OCCOCCO2- InChIKey
FZUOFQYIEUUWDU-UHFFFAOYSA-N- Molecular formula
- C18H22N2O5
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.15287181
Names & identifiers
- Preferred name
- 2,5,12,15,18-Pentaoxatricyclo[17.4.0.06,11]tricosa-1(19),6(11),7,9,20,22-hexaene-8,22-diamine
- IUPAC
- 2,5,12,15,18-pentaoxatricyclo[17.4.0.06,11]tricosa-1(19),6(11),7,9,20,22-hexaene-8,22-diamine
- English name
- 4' 4''(5'')-Diaminodibenzo-15-crown-5
- Molecular formula
- C18H22N2O5
- Molecular weight
- 346.37768
Names & synonyms
245086-08-22,5,12,15,18-Pentaoxatricyclo[17.4.0.06,11]tricosa-1(19),6(11),7,9,20,22-hexaene-8,22-diamineZINC04253340DTXSID00398136AKOS000519517ST504089825,6,7,8,9,10,11,16,17,18,19-undecahydrodibenzo[a,g][15]annulene-2,14-diamine6,7,9,10,17,18-hexahydrodibenzo[b,h][1,4,7,10,13]pentaoxacyclopentadecine-2,14-diamineHEXAHYDRO-5,8,11,16,19-PENTAOXA-DIBENZO(A,G)CYCLOPENTADECENE-2,13-DIAMINE4' 4''(5'')-Diaminodibenzo-15-crown-5
Database identifiers
- CAS
245086-08-2- PubChem CID
- 3943121
- DTXSID
DTXSID00398136- Nikkaji
- J2.303.620G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 10 · 10
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
- F
- 10
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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