Didansyl-1,4-diaminobutane
Basic information
- CAS
13285-10-4- Standard SMILES
CN(C)c1cccc2c(S(=O)(=O)NCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)cccc12- InChIKey
NNHHCCHSWPGUNI-UHFFFAOYSA-N- Molecular formula
- C28H34N4O4S2
- Average molar mass
- 554.7 g/mol
- Monoisotopic mass
- 554.20214793
Overview
See also: Didansyl-1,4-diamino-butane (annotation moved to).
Names & identifiers
- Preferred name
- Didansyl-1,4-diaminobutane
- IUPAC
- 5-(dimethylamino)-N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butyl]naphthalene-1-sulfonamide
- English name
- DANSYL-PUTRESCINE
- Molecular formula
- C28H34N4O4S2
- Molecular weight
- 554.73
Names & synonyms
Didansyl-1,4-diaminobutane13285-10-4Dansyl-putrescineN,N'-Didansylputrescine5-(dimethylamino)-N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butyl]naphthalene-1-sulfonamide1-Naphthalenesulfonamide, N,N'-1,4-butanediylbis[5-(dimethylamino)-N,N'-(Butane-1,4-diyl)bis(5-(dimethylamino)naphthalene-1-sulfonamide)N,N'-(Butane-1,4-diyl)bis[5-(dimethylamino)naphthalene-1-sulfonamide]Dansylputrisciene, 97%1-Naphthalenesulfonamide, N,N'-tetramethylenebis[5-(dimethylamino)-SCHEMBL4139459DTXSID10344684
Show more names
N,N-DidansylputrescineDidansyl-1,4-diaMinobutane powderN,N'-(1,4-Butanediyl)bis[5-(dimethylamino)naphthalene-1-sulfonamide]N,N'-(1,4-Butanediyl)bis[5-(dimethylamino)-1-naphthalenesulfonamide]
NNHHCCHSWPGUNI-UHFFFAOYSA-N1-Naphthalenesulfonamide, N,N'-tetramethylenebis*5-(dimethylamino)-1-Naphthalenesulfonamide, N,N'-1,4-butanediylbis*5-(dimethylamino)-5-(Dimethylamino)-N-[4-(([5-(dimethylamino)-1-naphthyl]sulfonyl)amino)butyl]-1-naphthalenesulfonamide #
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 882
Physicochemical properties
- Boiling point
- 729.912 · 729.912±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder
- pka
- 10.543 · 10.543±0.50(predicted)
- color
- green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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