4-Amino-2-(diethylaminomethyl)phenol
Basic information
- CAS
6297-14-9- Standard SMILES
CCN(CC)Cc1cc(N)ccc1O.Cl- InChIKey
KWNAKIVTTHIRJV-UHFFFAOYSA-N- Molecular formula
- C11H19ClN2O
- Average molar mass
- 230.73 g/mol
- Monoisotopic mass
- 230.1185909
Names & identifiers
- Preferred name
- 4-Amino-2-(diethylaminomethyl)phenol
- IUPAC
- 4-amino-2-(diethylaminomethyl)phenol;hydrochloride
- English name
- 4-Amino-alpha-diethylamino-o-cresol dihydrochloride
- Molecular formula
- C11H20Cl2N2O
- Molecular weight
- 267.2
Names & synonyms
4-amino-2-(diethylaminomethyl)phenolSCHEMBL1998660NSC17568NSC-17568NSC108348AKOS024307472NSC-108348ST503198244-amino-2-[(diethylamino)methyl]phenol, chloride4-Amino-alpha-diethylamino-o-cresol, dihydrochlorideAChE-IN-23Compound Fr12799
Show more names
AN7602-d4 (Crisaborole Metabolite)4-AMINO-2- (DIETHYLAMINOMETHYL)PHENOL 2HCL4-AMINO-α-DIETHYLAMINO-O-CRESOLDIHYDROCHLORIDE4-amino-α-diethylamino-o-cresol dihydrochloride4-amino-alpha-diethylamino-ortho-cresol dihydroc4-Amino-alpha-diethylamino-o-cresol dihydrochloride4-AMINO-2-[(DIETHYLAMINO)METHYL]PHENOL DIHYDROCHLORIDE4-Amino-alpha-diethylamino-o-cresol dihydrochloride,97%
Database identifiers
- CAS
6297-14-9- PubChem CID
- 458755
Properties
Computed structural properties
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 215 · 215-218 °C (dec.)(lit.)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- soluble in DMSO
- form
- Solid
- color
- Gray
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H335-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41
- Safety Statements
- 24 · 24/25-26
- WGK Germany
- 3 · 3
- HS Code
- 29222900 · 29222900
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
- wgk
- 3
- hs_code
- 29222900
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xn
- safety_code
- 24/25-26
- Hazard statements
- H302-H315-H335-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses4-Amino-a-(diethyl-d10)amino-o-cresol Dihydrochloride is an intermediate in the synthesis of Amodiaquine-d10 (A634202), an antimalarial.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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