Basic information
- CAS
74027-60-4- Standard SMILES
COCCc1ccc(OCC(O)CN)cc1- InChIKey
XJWXVDJGNOHFLR-UHFFFAOYSA-N- Molecular formula
- C12H19NO3
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.13649347
Names & identifiers
- Preferred name
- 1-Amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
- IUPAC
- 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
- English name
- 1-Amino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol
- Molecular formula
- C12H19NO3
- Molecular weight
- 225.28
Names & synonyms
74027-60-41-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-olDTXSID304356891-amino-3-(4-(2-methoxyethyl)phenoxy)propan-2-olRefChem:227514DTXCID20386515826-168-2N-Desisopropyl Metoprolol1-Amino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol2-Propanol, 1-amino-3-[4-(2-methoxyethyl)phenoxy]-; N-DesisopropylmetoprololN-Desisopropylmetoprolol (1-Amino-3-[4-(2-methoxyethyl)phenoxy]-2-propanol)H 98/52
Show more names
2-Propanol, 1-amino-3-[4-(2-methoxyethyl)phenoxy]-2-Amino-1-[[4-(2-methoxyethyl)phenoxy]methyl]ethanol
SCHEMBL11093561CS-0243896EN300-269684G53757
Database identifiers
- CAS
74027-60-4- PubChem CID
- 10105079
- DTXSID
DTXSID30435689- EC Number
- 826-168-2
- Nikkaji
- J437.460F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 63 · 63-66°C
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- color
- White to Off-White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesAn oxidation product and potential metabolite of Metoprolol (M338790).
Suppliers9 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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