1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-
Basic information
- CAS
149338-16-9- Standard SMILES
CN(C)CCCNc1c([N+](=O)[O-])sc2ccc(Cl)cc12- InChIKey
KYRZWFRELUDRFE-UHFFFAOYSA-N- Molecular formula
- C13H16ClN3O2S
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 313.0651756
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-
- IUPAC
- N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-N',N'-dimethylpropane-1,3-diamine
Names & synonyms
BRN 58236041,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-149338-16-9N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-1,3-propanediamineDTXSID20164234RefChem:219521DTXCID4086725N~3~-(5-Chloro-2-nitro-1-benzothiophen-3-yl)-N~1~,N~1~-dimethylpropane-1,3-diamine
Database identifiers
- CAS
149338-16-9- PubChem CID
- 3073483
- DTXSID
DTXSID20164234- Nikkaji
- J514.201F
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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