Basic information
- CAS
3544-23-8- Standard SMILES
COc1cc(N=Nc2ccccc2)ccc1N- InChIKey
BQDAFHDHPLPCLC-UHFFFAOYSA-N- Molecular formula
- C13H13N3O
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.10586205
Overview
See also: 2-Methoxy-4-(2-phenyldiazen-1-yl)aniline (annotation moved to).
Names & identifiers
- Preferred name
- 3-Methoxy-4-aminoazobenzene
- IUPAC
- 2-methoxy-4-phenyldiazenylaniline
- English name
- 2-methoxy-4-aminoazobenzene
- Molecular weight
- 227.26
Names & synonyms
3-Methoxy-4-aminoazobenzeneDTXSID40208243-MeO-AABRefChem:262548DTXCID808098713544-23-84-Amino-3-methoxyazobenzene4-(Phenylazo)-o-anisidine2-methoxy-4-phenyldiazenylanilineo-ANISIDINE, 4-(PHENYLAZO)-Benzenamine, 2-methoxy-4-(phenylazo)-2-Methoxy-4-(phenyldiazenyl)aniline
Show more names
3-METHOXYAMINOAZOBENZENE3-Methoxyazobenzen-4-amine5-Methoxyazobenzene-4-amine2-methoxy-4-aminoazobenzene2-Methoxy-4-(phenylazo)benzenamine
69RJD2DP9FNSC-141068CCRIS 1110Azobenzene, 4-amino-3-methoxy-Aniline, 2-methoxy-4-phenylazo-NSC 141068BRN 1842457NSC141068
Database identifiers
- CAS
3544-23-8、377082-08-1- PubChem CID
- 19062
- DTXSID
DTXSID4020824- ChEMBL
CHEMBL312328- UNII
- 69RJD2DP9F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 368.98 °C · 368.98°C (rough estimate)
- Density
- 1.1267 · 1.1267 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- pka
- 3.062 · 3.062±0.10(predicted)
- FDA UNII
- 69 RJD2DP9F · 69RJD2DP9F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H317-H335-H315
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- H319-H317-H335-H315
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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