Basic information
- CAS
105601-04-5- Standard SMILES
CC(c1cccc(O)c1)N(C)C- InChIKey
GQZXRLWUYONVCP-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Overview
a rivastigmine metabolite; structure in first source
Names & identifiers
- Preferred name
- 3-(1-Dimethylaminoethyl)phenol
- IUPAC
- 3-[1-(dimethylamino)ethyl]phenol
- English name
- 3-(1-(Dimethylamino)ethyl]phenol
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
3-(1-DIMETHYLAMINOETHYL)PHENOLRefChem:489388105601-04-53-[1-(dimethylamino)ethyl]phenol3-(1-(dimethylamino)ethyl)phenol3-(1-(DIMETHYLAMINO)ETHYL]PHENOLPhenol, 3-[1-(dimethylamino)ethyl]-3-[(1S)-1-(Dimethylaminoethyl)]phenolMFCD08272688Phenol,3-[1-(dimethylamino)ethyl]-Rivastigmine IntermediatesRivastigmine Impurity 10
Show more names
(R)-3-(1-(DIMETHYLAMINO)ETHYL)PHENOLZNS 114-6663-(1-(Dimethylamino)Rivastigmine Impurity 43RIVASTIGMINE INTERMEDIATERivastigmine Intermediate 23-[1-dimethylamino]ethyl]pheno3-[1-(two MethylaMino)ethyl]phenol
rivastigmine intermediate 3SCHEMBL43343SCHEMBL29809913BDBM10630DTXSID203283343-(1-dimethylamino-ethyl)-phenolHMS3604C09SYB70631
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 87 · 87-89°C
- Boiling point
- 241 ℃ · 241℃
- Density
- 1.021 · 1.021
- Flash point
- 97 ℃ · 97℃
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 9.86 · 9.86±0.10(Predicted)
- color
- White to Light yellow
- InChI
- 1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3
- InChIKey
- GQZXRLWUYONVCP-UHFFFAOYSA-N
- SMILES
- CC(N(C)C)c1cccc(O)c1
- CAS DataBase Reference
- 105601 · 105601-04-5(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
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
- WGK 3
- hs_code
- 2922290090
- risk_code
- 25-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T
- safety_code
- 26-39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H318-H412
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2
- Precautionary statements
- P273-P280-P301+P310-P305+P351+P338-P310
Chemistry & industry
Applications
UsesAn active (major) metabolite of Rivastigmine
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广州市亿邦医药科技有限公司
Related reactions
3 records
Compound notes
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