N1-(2-(Diethylamino)ethyl)benzene-1,2-diamine
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Basic information
- CAS
40516-96-9- Standard SMILES
CCN(CC)CCNc1ccccc1N- InChIKey
QCPBUPZDJQWDCZ-UHFFFAOYSA-N- Molecular formula
- C12H21N3
- Average molar mass
- 207.32 g/mol
- Monoisotopic mass
- 207.17354768
Names & identifiers
- Preferred name
- N1-(2-(Diethylamino)ethyl)benzene-1,2-diamine
- IUPAC
- 2-N-[2-(diethylamino)ethyl]benzene-1,2-diamine
- English name
- 1-N-[2-(diethylamino)ethyl]benzene-1,2-diamine
- Molecular formula
- C12H21N3
- Molecular weight
- 207.32
Names & synonyms
40516-96-9N1-(2-(Diethylamino)ethyl)benzene-1,2-diamineN1-[2-(diethylamino)ethyl]benzene-1,2-diamineSCHEMBL11749512MFCD11187000AKOS009237015F1911-3677N-[2-(DIETHYLAMINO)ETHYL]-1,2-BENZENEDIAMINE1-N-[2-(diethylamino)ethyl]benzene-1,2-diamine1,2-Benzenediamine, N1-[2-(diethylamino)ethyl]-
Database identifiers
- CAS
40516-96-9- PubChem CID
- 3064156
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 145 · 145-148 °C(Press: 3 Torr)
- Density
- 1.031 · 1.031±0.06 g/cm3(Predicted)
- pka
- 10.03 · 10.03±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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