Basic information
- CAS
82774-61-6- Standard SMILES
CC(C)c1cc(O)ccc1N- InChIKey
HWYSAVAYUJTSLU-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Names & identifiers
- Preferred name
- 4-Amino-3-(isopropyl)phenol
- IUPAC
- 4-amino-3-propan-2-ylphenol
- English name
- 4-amino-3-(isopropyl)phenol
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
4-Amino-3-(isopropyl)phenol82774-61-64-Amino-3-(1-methylethyl)phenol4-amino-3-propan-2-ylphenolEINECS 280-026-94-Amino-3-isopropylphenol4-AMINO-3-(PROPAN-2-YL)PHENOL4-Amino-3-isopropylphenol #SCHEMBL3844817DTXSID101002882ZB1176MB22448
Show more names
4-Amino-5-isopropylphenol3-(1-methylethyl)-4-aminophenolPhenol, 4-amino-3-(1-methylethyl)- (9CI)
Phenol, 4-amino-3-(1-methylethyl)-4-AMINO-3-(1-METHYLETHYL)-PHENOLDB-184683NS00059360
Database identifiers
- CAS
82774-61-6- PubChem CID
- 586010
- DTXSID
DTXSID101002882- EC Number
- 280-026-9
- Nikkaji
- J320.430H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Melting point
- 175.5 °C · 175.5 °C
- Boiling point
- 305.4 · 305.4±30.0 °C(Predicted)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- pka
- 10.29 · 10.29±0.18(Predicted)
Chemistry & industry
Suppliers5 total
常州协丰医药研发有限公司519-85601385 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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