Basic information
- CAS
21945-86-8- Standard SMILES
Cc1cccc(C(OCCN(C)C)c2ccccc2)c1- InChIKey
VSIVTUKDXUYWPL-UHFFFAOYSA-N- Molecular formula
- C18H23NO
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.17796436
Names & identifiers
- Preferred name
- O-Demethyl-m-methyl orphenadrine
- IUPAC
- N,N-dimethyl-2-[(3-methylphenyl)-phenylmethoxy]ethanamine
- English name
- N,N-dimethyl-2-[(3-methylphenyl)-phenylmethoxy]ethanamine
- Molecular formula
- C18H23NO
- Molecular weight
- 269.39
Names & synonyms
21945-86-8O-Demethyl-m-methyl orphenadrineOrphenadrine impurity E3-MethyldiphenhydramineA40KR91PE2Orphenadrine meta-methylbenzyl isomerOrphenadrine citrate impurity E [EP](RS)-N,N-Dimethyl-2-((3-methylphenyl)phenylmethoxy)ethanamineEthanamine, N,N-dimethyl-2-((3-methylphenyl)phenylmethoxy)-Orphenadrine citrate specified impurity E [EP]Ethylamine, N,N-dimethyl-2-((m-methyl-alpha-phenylbenzyl)oxy)-ORPHENADRINE CITRATE IMPURITY E [EP IMPURITY]
Show more names
Orphenadrine EP Impurity EOrphenadrine citrate USP Impurity EOrphenadrine citrate EP Impurity EOrphenadrine Related Compound E (50 mg)Orphenadrine hydrochloride EP impurity EN,N-Dimethyl-2-(phenyl(m-tolyl)methoxy)ethan-1-amineEthanamine, N,N-dimethyl-2-[(3-methylphenyl)phenylmethoxy]-(RS)-N,N-Dimethyl-2-[(3-methylphenyl)phenylmethoxy]ethanamineOrphenadrine Impurity 5 (Orphenadrine EP Impurity E)(Orphenadrine USP RC E)
ETHYLAMINE, N,N-DIMETHYL-2-((M-METHYL-.ALPHA.-PHENYLBENZYL)OXY)-ORPHENADRINE CITRATE IMPURITY E (EP IMPURITY)RefChem:855239Orphenadrine citrate impurity EOrphenadrine citrate specified impurity E110-989-1N,N-dimethyl-2-[(3-methylphenyl)-phenylmethoxy]ethanamineUNII-A40KR91PE2
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 360.4 · 360.4±32.0 °C(Predicted)
- Density
- 1.014 · 1.014±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.74 · 8.74±0.28(Predicted)
- Major Application
- pharmaceutical
- InChI
- 1S/C18H23NO/c1-15-8-7-11-17(14-15)18(20-13-12-19(2)3)16-9-5-4-6-10-16/h4-11,14,18H,12-13H2,1-3H3
- InChIKey
- VSIVTUKDXUYWPL-UHFFFAOYSA-N
- SMILES
- N(CCOC(c2cc(ccc2)C)c1ccccc1)(C)C
- FDA UNII
- 40 KR91PE2 · A40KR91PE2
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- WGK Germany
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2922199695
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesThese Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.
Suppliers16 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
上海孚一生物科技有限公司18096642264 18096642264 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
上海环琪生物科技有限公司13524106587 · [email protected]
上海孚一生物科技有限公司18096642264;18096409024 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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