Einecs 282-324-4
Basic information
- CAS
84176-58-9- Standard SMILES
NCCNCCNCCNCCN.O=C(O)c1ccccc1- InChIKey
AAHMKFJKDKEURM-UHFFFAOYSA-N- Molecular formula
- C15H29N5O2
- Average molar mass
- 311.42 g/mol
- Monoisotopic mass
- 311.23212518
Names & identifiers
- Preferred name
- Einecs 282-324-4
- IUPAC
- N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;benzoic acid
Names & synonyms
EINECS 282-324-484176-58-9Benzoic acid, compound with N-(2-aminoethyl)-N'-(2-((2-aminoethyl)amino)ethyl)ethyl-1,2-diamineDTXSID10233089Benzoic acid--N~1~,N~1'~-[azanediyldi(ethane-2,1-diyl)]di(ethane-1,2-diamine) (1/1)
Database identifiers
- CAS
84176-58-9- PubChem CID
- 44147609
- DTXSID
DTXSID10233089- EC Number
- 282-324-4
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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