Basic information
- CAS
65241-01-2- Standard SMILES
CCCCNC(=O)OCCN(CCOC(=O)NCCCC)C(=O)N1c2ccccc2Sc2ccccc21- InChIKey
VCDBWVRRINRUOV-UHFFFAOYSA-N- Molecular formula
- C27H36N4O5S
- Average molar mass
- 528.7 g/mol
- Monoisotopic mass
- 528.24064144
Names & identifiers
- Preferred name
- Carbamic acid, butyl-, ((10H-phenothiazin-10-ylcarbonyl)imino)di-2,1-ethanediyl ester
- IUPAC
- 2-[2-(butylcarbamoyloxy)ethyl-(phenothiazine-10-carbonyl)amino]ethyl N-butylcarbamate
- English name
- Di(butylcarbamic acid)2,2'-[[(10H-phenothiazin-10-yl)carbonyl]imino]diethyl ester
- Molecular formula
- C27H36N4O5S
- Molecular weight
- 528.66
Names & synonyms
BRN 119628065241-01-2Carbamic acid, butyl-, ((10H-phenothiazin-10-ylcarbonyl)imino)di-2,1-ethanediyl esterDTXSID70215548Butylcarbamic acid ((10H-phenothiazin-10-ylcarbonyl)imino)di-2,1-ethanediyl esterNSC 303593RefChem:332320DTXCID00138039NSC303593NSC-303593[(10H-Phenothiazine-10-carbonyl)azanediyl]di(ethane-2,1-diyl) bis(butylcarbamate)Di(butylcarbamic acid)2,2'-[[(10H-phenothiazin-10-yl)carbonyl]imino]diethyl ester
Show more names
Carbamic acid, butyl-, [(10H-phenothiazin-10-ylcarbonyl)imino]di-2,1-ethanediyl ester (9CI)
Database identifiers
- CAS
65241-01-2- PubChem CID
- 47563
- DTXSID
DTXSID70215548- Nikkaji
- J77.635A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 677
Physicochemical properties
- Melting point
- 66 · 66-68 °C
- Boiling point
- 683 · 683.0±55.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 12.37 · 12.37±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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