1,1'-Hexamethylenebis (3,3-dimethylurea)
Basic information
- CAS
20575-76-2- Standard SMILES
CN(C)C(=O)NCCCCCCNC(=O)N(C)C- InChIKey
JZGGZNWADMJJCC-UHFFFAOYSA-N- Molecular formula
- C12H26N4O2
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.20557608
Names & identifiers
- Preferred name
- 1,1'-Hexamethylenebis (3,3-dimethylurea)
- IUPAC
- 3-[6-(dimethylcarbamoylamino)hexyl]-1,1-dimethylurea
- English name
- N,N''-1,6-Hexanediylbis[N',N'-dimethylurea]
- Molecular formula
- C12H26N4O2
- Molecular weight
- 258.36
Names & synonyms
20575-76-2Urea, 1,1'-hexamethylenebis(3,3-dimethyl-5Q7CEJ9UESNSC-2553171,1'-Hexamethylenebis (3,3-dimethylurea)RefChem:10516141,1'-(Hexane-1,6-diyl)bis(3,3-dimethylurea)1,1'-Hexamethylenebis(3,3-dimethylurea)3,3'-HEXAMETHYLENEBIS(1,1-DIMETHYLUREA)3-[6-(dimethylcarbamoylamino)hexyl]-1,1-dimethylurea1,3-dimethylurea]NSC 255317
Show more names
1,1'-Hexamethylenebis[3,3-dimethylurea]1,1-(Hexane-1,6-diyl)bis(3,3-dimethylurea)N,N''-1,6-Hexanediylbis[N',N'-dimethylurea]
BRN 2116874AI3-51108Urea, N,N''-1,6-hexanediylbis(N',N'-dimethyl-SCHEMBL3099807DTXSID309427671-{6-[(DIMETHYLCARBAMOYL)AMINO]HEXYL}-3,3-DIMETHYLUREANSC255317AKOS024334223
Database identifiers
- CAS
20575-76-2- PubChem CID
- 99644
- DTXSID
DTXSID30942767- UNII
- 5Q7CEJ9UES
- Nikkaji
- J48.955G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 512.3 · 512.3±33.0 °C(Predicted)
- Density
- 1.021 · 1.021±0.06 g/cm3(Predicted)
- pka
- 13.98 · 13.98±0.46(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 Q7CEJ9UES · 5Q7CEJ9UES
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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