Carbamic acid, N-butyl-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester
Basic information
- CAS
61556-47-6- Standard SMILES
CCCCNC(=O)OCCN(CCC#N)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
WFDRYDMTWFOSCK-UHFFFAOYSA-N- Molecular formula
- C22H26N6O4
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.20155333
Names & identifiers
- Preferred name
- Carbamic acid, N-butyl-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester
- IUPAC
- 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl N-butylcarbamate
- English name
- 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl butylcarbamate
- Molecular formula
- C22H26N6O4
- Molecular weight
- 438.48
Names & synonyms
EINECS 262-842-7Carbamic acid, butyl-, 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl esterCarbamic acid, butyl-, 2-((2-cyanoethyl)(4-((4-nitrophenyl)azo)phenyl)amino)ethyl esterN-(2-Cyanoethyl)-N-(2-((((butylamino)carbonyl)oxy)ethyl)-4-nitrophenyl)azo)benzenamineCarbamic acid, N-butyl-, 2-((2-cyanoethyl)(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)ethyl esterCarbamic acid, N-butyl-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl esterRefChem:57404061556-47-6X9CS9ZY32LDTXSID9069479WFDRYDMTWFOSCK-UHFFFAOYSA-N2-((2-Cyanoethyl)(4-((4-nitrophenyl)azo)phenyl)amino)ethyl butylcarbamate
Show more names
2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl butylcarbamateButylcarbamic acid 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl ester
DB-313219NS000347262-[(2-Cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl ]amino]ethyl butylcarbamate2-[(2-Cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl N-butylcarbamate2-[(2-Cyanoethyl){4-[(4-nitrophenyl)diazenyl]phenyl}amino]ethyl butylcarbamate
Database identifiers
- CAS
61556-47-6- PubChem CID
- 109098
- DTXSID
DTXSID9069479- UNII
- X9CS9ZY32L
- EC Number
- 262-842-7
- Nikkaji
- J279.657K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 643
Physicochemical properties
- EPA Substance Registry System
- 2 · Carbamic acid, butyl-, 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl ester (61556-47-6)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamic acid, N-butyl-, 2-[(2-cyanoethyl)[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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