Basic information
- CAS
500015-24-7- Standard SMILES
CC(C)COc1ccc(N)cc1F- InChIKey
FIVDKGMTJVSMSH-UHFFFAOYSA-N- Molecular formula
- C10H14FNO
- Average molar mass
- 183.22 g/mol
- Monoisotopic mass
- 183.10594223
Names & identifiers
- Preferred name
- 3-Fluoro-4-isobutoxyaniline
- IUPAC
- 3-fluoro-4-(2-methylpropoxy)aniline
- English name
- Benzenamine, 3-fluoro-4-(2-methylpropoxy)- (9CI)
- Molecular formula
- C10H14FNO
- Molecular weight
- 183.22
Names & synonyms
3-Fluoro-4-isobutoxyaniline500015-24-73-Fluoro-4-(2-methylpropoxy)anilineMFCD111933043-fluoro-4-isobutoxy-anilineBENZENAMINE, 3-FLUORO-4-(2-METHYLPROPOXY)-DTXSID00651874AKOS009259646KS-5648DB-273783EN300-1296068F063737
Show more names
3-Fluoro-4-(2-methylpropoxy)benzenamineBenzenamine, 3-fluoro-4-(2-methylpropoxy)- (9CI)
A1-05087
Database identifiers
- CAS
500015-24-7- PubChem CID
- 28972726
- DTXSID
DTXSID00651874
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 282.3 · 282.3±20.0 °C(Predicted)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- pka
- 4.13 · 4.13±0.10(Predicted)
Chemistry & industry
Suppliers4 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
济南思考化学有限公司0531-0000 · [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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