Basic information
- CAS
40136-86-5- Standard SMILES
CC(Cl)CN(CC(C)Cl)c1ccc(N=Nc2ccccc2)cc1- InChIKey
NHGTUDJKVXBFSP-UHFFFAOYSA-N- Molecular formula
- C18H21Cl2N3
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 349.1112531
Names & identifiers
- Preferred name
- N,N-Bis(2-chloropropyl)-4-(phenyldiazenyl)aniline
- IUPAC
- N,N-bis(2-chloropropyl)-4-phenyldiazenylaniline
- English name
- N,N-Bis(2-chloropropyl)-4-(phenylazo)benzenamine
- Molecular formula
- C18H21Cl2N3
- Molecular weight
- 350.29
Names & synonyms
DTXSID60960575N,N-Bis(2-chloropropyl)-4-(phenyldiazenyl)anilineRefChem:1090388DTXCID30138842440136-86-5Azobenzene, 4-bis(2-chloropropyl)amino-NSC 240596NSC240596Benzenamine, N,N-bis(2-chloropropyl)-4-(phenylazo)-ANILINE, N,N-BIS(2-CHLOROPROPYL)-4-(PHENYLAZO)-NSC-240596Benzenamine,N-bis(2-chloropropyl)-4-(phenylazo)-
Show more names
N,N-Bis(2-chloropropyl)-4-(phenylazo)benzenamineBenzenamine, N,N-bis(2-chloropropyl)-4-(2-phenyldiazenyl)-
Database identifiers
- CAS
40136-86-5- PubChem CID
- 38396
- DTXSID
DTXSID60960575- Nikkaji
- J55.204F
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 482.2 · 482.2±40.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 1.77 · 1.77±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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