Basic information
- CAS
94200-25-6- Standard SMILES
NCCNCCN.O=C(O)c1ccccc1- InChIKey
SGNSBDUGCSOROA-UHFFFAOYSA-N- Molecular formula
- C11H19N3O2
- Average molar mass
- 225.29 g/mol
- Monoisotopic mass
- 225.14772686
Names & identifiers
- Preferred name
- Einecs 303-501-5
- IUPAC
- N'-(2-aminoethyl)ethane-1,2-diamine;benzoic acid
Names & synonyms
EINECS 303-501-5Benzoic acid, compound with N-(2-aminoethyl)ethyl-1,2-diamine94200-25-6DTXSID50240979Benzoic acid--N~1~-(2-aminoethyl)ethane-1,2-diamine (1/1)
Database identifiers
- CAS
94200-25-6- PubChem CID
- 44153111
- DTXSID
DTXSID50240979- EC Number
- 303-501-5
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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