N1-(3-methoxyphenyl)benzene-1,4-diamine
Basic information
- CAS
76754-70-6- Standard SMILES
COc1cccc(Nc2ccc(N)cc2)c1- InChIKey
HKUTXVKTVXDDRO-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Names & identifiers
- Preferred name
- N1-(3-methoxyphenyl)benzene-1,4-diamine
- IUPAC
- 4-N-(3-methoxyphenyl)benzene-1,4-diamine
- English name
- N1-(3-methoxyphenyl)benzene-1,4-diamine
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
N1-(3-methoxyphenyl)benzene-1,4-diamine76754-70-6RefChem:831388993-582-94-N-(3-methoxyphenyl)benzene-1,4-diamineSCHEMBL6051261HKUTXVKTVXDDRO-UHFFFAOYSA-NBDA75470AKOS0002863771-N-(3-methoxyphenyl)benzene-1,4-diamineN-(3-methoxy-phenyl)-benzene-1,4-diamineEN300-314533
Show more names
1,4-Benzenediamine, N1-(3-methoxyphenyl)-
G53781
Database identifiers
- CAS
76754-70-6- PubChem CID
- 4764089
- EC Number
- 993-582-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 382.5 · 382.5±22.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- pka
- 5.25 · 5.25±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
Loading…