Basic information
- CAS
17823-94-8- Standard SMILES
Cc1ccc(Oc2cccc(N)c2)cc1- InChIKey
HLQWPXCRYYEKRE-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
Names & identifiers
- Preferred name
- 3-(4-Methylphenoxy)aniline
- IUPAC
- 3-(4-methylphenoxy)aniline
- English name
- 3-p-Tolyloxy-phenylamine
- Molecular formula
- C13H13NO
- Molecular weight
- 199.25
Names & synonyms
3-(p-Tolyloxy)aniline3-(4-methylphenoxy)aniline17823-94-83-P-tolyloxy-phenylamineMFCD06656968SCHEMBL11778093-(4-Methylphenoxy)benzenamineHLQWPXCRYYEKRE-UHFFFAOYSA-NBenzenamine, 3-(4-methylphenoxy)-AKOS006294596HS-4981SY268804
Show more names
H39004
Database identifiers
- CAS
17823-94-8- Nikkaji
- J2.805.491B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 126 · 126-136 °C(Press: 0.6 Torr)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- pka
- 4.05 · 4.05±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
上海睿升化工科技有限公司15026594951 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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