2-((4-(2-(Cyclopropylmethoxy)ethyl)phenoxy)methyl)oxirane

HCID 11791542CAS 63659-17-6

Substructure search Find similar structures

Basic information

Standard SMILES: c1cc(OCC2CO2)ccc1CCOCC1CC1
InChIKey: DQRZXLUCRJNWKV-UHFFFAOYSA-N
Molecular formula: C15H20O3
Average molar mass: 248.32 g/mol
Monoisotopic mass: 248.1412445

Names & identifiers

Preferred name: 2-((4-(2-(Cyclopropylmethoxy)ethyl)phenoxy)methyl)oxirane
IUPAC: 2-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane
English name: 1-[4-(2-Hydroxyethyl)phenoxy]-2,3-epoxypropane
Molecular formula: C15H20O3
Molecular weight: 248.32

Names & synonyms

63659-17-62-((4-(2-(Cyclopropylmethoxy)ethyl)phenoxy)methyl)oxirane2-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxiraneKFH7N7W7XHDTXSID40472924Betaxolol hydrochloride impurity C [EP]Oxirane, ((4-(2-(cyclopropylmethoxy)ethyl)phenoxy)methyl)-Oxirane, 2-((4-(2-(cyclopropylmethoxy)ethyl)phenoxy)methyl)-(2RS)-2-((4-(2-(Cyclopropylmethoxy)ethyl)phenoxy)methyl)oxiraneBETAXOLOL HYDROCHLORIDE IMPURITY C [EP IMPURITY]2-({4-[2-(Cyclopropylmethoxy)ethyl]phenoxy}methyl)oxiraneBETAXOLOL HYDROCHLORIDE IMPURITY C (EP IMPURITY)

Show more names

ZB-2Betaxolol impurity CBetaxolol IMp. C (EP)Betaxolol IMp. C (EP)-d52-[[4-[2-(Cyclopropylmethoxy)ethyl]Betaxolol Hydrochloride EP Impurity CBetaxolol Impurity 3(Betaxolol EP Impurity C)1-[4-(2-Hydroxyethyl)phenoxy]-2,3-epoxypropane

RefChem:83708DTXCID80423738Betaxolol hydrochloride impurity C440-920-3642-076-3Betaxolol EP Impurity C[[4-[2-(Cyclopropylmethoxy)ethyl]phenoxy]methyl]oxiraneMFCD09955498

Database identifiers

CAS: 63659-17-6
PubChem CID: 11791542
DTXSID: DTXSID40472924
UNII: KFH7N7W7XH
EC Number: 440-920-3、642-076-3

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 31 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 18
Formal charge: 0
Complexity: 244

Physicochemical properties

Boiling point: 358 ℃ · 358℃
Density: 1.135 · 1.135
Flash point: 121 ℃ · 121℃
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
color: Colourless to Pale Yellow
Major Application: pharmaceutical (small molecule)
InChI: InChI=1S/C15H20O3/c1-2-13(1)9-16-8-7-12-3-5-14(6-4-12)17-10-15-11-18-15/h3-6,13,15H,1-2,7-11H2
InChIKey: DQRZXLUCRJNWKV-UHFFFAOYSA-N
SMILES: O1CC1COC1=CC=C(CCOCC2CC2)C=C1
FDA UNII: 7 N7W7XH · KFH7N7W7XH
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 341 · H341
Precautionary statements: 201 · P201-P202-P281-P308+P313-P405-P501
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning