N1-Butylbenzene-1,2-diamine
Basic information
- CAS
51592-02-0- Standard SMILES
CCCCNc1ccccc1N- InChIKey
NBFBBBHLERFOND-UHFFFAOYSA-N- Molecular formula
- C10H16N2
- Average molar mass
- 164.25 g/mol
- Monoisotopic mass
- 164.13134852
Names & identifiers
- Preferred name
- N1-Butylbenzene-1,2-diamine
- IUPAC
- 2-N-butylbenzene-1,2-diamine
- English name
- 1-N-butylbenzene-1,2-diamine
- Molecular formula
- C10H16N2
- Molecular weight
- 164.25
Names & synonyms
N1-Butylbenzene-1,2-diamine51592-02-0DTXSID80459370RefChem:365102DTXCID404101891-N-Butylbenzene-1,2-diamine2-N-butylbenzene-1,2-diamineMFCD08689819ButylphenylendiaminN-butyl-2-aminoanilineN2-butylbenzene-1,2-diamineSCHEMBL659537
Show more names
N-BUTYL-1,2-BENZENEDIAMINE1,2-Benzenediamine, N-butyl-1,2-Benzenediamine, N1-butyl-
SCHEMBL29636805N~1~-Butylbenzene-1,2-diamineNBFBBBHLERFOND-UHFFFAOYSA-NAKOS009237754SB75950BS-28785DA-05293CS-0453208
Database identifiers
- CAS
51592-02-0- PubChem CID
- 11228985
- DTXSID
DTXSID80459370- Nikkaji
- J2.885.118I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Melting point
- 35 °C · 35 °C
- Boiling point
- 293.8 · 293.8±23.0 °C(Predicted)
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- pka
- 5.53 · 5.53±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-N-Butylbenzene-1,2-diamine is used in the synthesis of a fluorescent probe for imaging Cu(II) in living cells.
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
Loading…