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Basic information
- CAS
78156-03-3- Standard SMILES
CN(C)CCNc1ccccc1N- InChIKey
YMYPZBOBAISUFL-UHFFFAOYSA-N- Molecular formula
- C10H17N3
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.14224756
Names & identifiers
- Preferred name
- N-[2-(dimethylamino)ethyl]benzene-1,2-diamine
- IUPAC
- 2-N-[2-(dimethylamino)ethyl]benzene-1,2-diamine
- English name
- N-[2-(Dimethylamino)ethyl]benzene-1,2-diamine
- Molecular formula
- C10H17N3
- Molecular weight
- 179.26
Names & synonyms
78156-03-3N-[2-(dimethylamino)ethyl]benzene-1,2-diamineN1-[2-(dimethylamino)ethyl]benzene-1,2-diamine1,2-Benzenediamine,N1-[2-(dimethylamino)ethyl]-1-n-[2-(dimethylamino)ethyl]benzene-1,2-diamine2-N-[2-(dimethylamino)ethyl]benzene-1,2-diamineN1-(2-(dimethylamino)ethyl)benzene-1,2-diamineN-(Beta-dimethylaminoethyl)-O-phenylenediamineSCHEMBL974274SCHEMBL30457115DTXSID70335038YMYPZBOBAISUFL-UHFFFAOYSA-N
Show more names
1,2-Benzenediamine, N1-[2-(dimethylamino)ethyl]-
DDA15603AKOS000119203DB-335301CS-0243131EN300-25975N-[2-(dimethylamino)ethyl]-1,2-benzenediamineN2-[2-(dimethylamino)ethyl]benzene-1,2-diamineN~1~-[2-(Dimethylamino)ethyl]benzene-1,2-diamine
Database identifiers
- CAS
78156-03-3- PubChem CID
- 522698
- DTXSID
DTXSID70335038
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 54 · 54-55 °C
- Boiling point
- 318.4 · 318.4±27.0 °C(Predicted)
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- pka
- 9.15 · 9.15±0.28(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
安徽迪合永欣药业有限公司0556-05565590630 · [email protected]
Related reactions
7 records
Compound notes
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