N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea
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Basic information
- CAS
73840-15-0- Standard SMILES
CCCCNC(=O)NCCCN1CCN(CCCNC(=O)NCCCC)CC1- InChIKey
CWZHWSSWOUKCPV-UHFFFAOYSA-N- Molecular formula
- C20H42N6O2
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.3369246
Names & identifiers
- Preferred name
- N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea
- IUPAC
- 1-butyl-3-[3-[4-[3-(butylcarbamoylamino)propyl]piperazin-1-yl]propyl]urea
- English name
- 1,1'-[(1,4-Piperazinediyl)bis(trimethylene)]bis(3-butylurea)
- Molecular formula
- C20H42N6O2
- Molecular weight
- 398.59
Names & synonyms
73840-15-0K0BVT5FBO2Urea, 1,1'-(1,4-piperazinediylbis(trimethylene))bis(3-butyl-NSC 94515UNII-K0BVT5FBO2NSC-94515Piperazine, 1,4-bis(3-(3-butylureido)propyl)-DTXSID50224395N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylureaUrea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-butyl-RefChem:201880DTXCID50146886
Show more names
1,1'-[(1,4-Piperazinediyl)bis(trimethylene)]bis(3-butylurea)Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis[N'-butyl- (9CI)
Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-butyl-(9CI)NSC94515DS-014128Piperazine,4-bis[3-(3-butylureido)propyl]-Urea,1'-[1,4-piperazinediylbis(trimethylene)]bis[3-butyl-Urea,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis[N'-butyl-N,N'-[Piperazine-1,4-diyldi(propane-3,1-diyl)]bis(N'-butylurea)3-butyl-1-[3-[4-[3-(butylcarbamoylamino)propyl]piperazin-1-yl]propyl]urea
Database identifiers
- CAS
73840-15-0- PubChem CID
- 96937
- DTXSID
DTXSID50224395- UNII
- K0BVT5FBO2
- Nikkaji
- J93.325B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- FDA UNII
- 0 BVT5FBO2 · K0BVT5FBO2
Related reactions
0 records
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Compound notes
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