Basic information
- CAS
4182-45-0- Standard SMILES
NCCN(CCN)c1ccccc1- InChIKey
VSNUYTZHMAWRFQ-UHFFFAOYSA-N- Molecular formula
- C10H17N3
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.14224756
Names & identifiers
- Preferred name
- N1-(2-aminoethyl)-N1-phenylethane-1,2-diamine
- IUPAC
- N'-(2-aminoethyl)-N'-phenylethane-1,2-diamine
Names & synonyms
N1-(2-aminoethyl)-N1-phenylethane-1,2-diamine4182-45-0SCHEMBL9100655DTXSID401254597N1-(2-Aminoethyl)-N1-phenyl-1,2-ethanediamineN~1~-(2-Aminoethyl)-N~1~-phenylethane-1,2-diamine
Database identifiers
- CAS
4182-45-0- PubChem CID
- 15633763
- DTXSID
DTXSID401254597- Nikkaji
- J1.524.136E
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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