Basic information
- CAS
20059-73-8- Standard SMILES
CN(C)CCOc1ccc(CN)cc1- InChIKey
OBHPRQNPNGQGCK-UHFFFAOYSA-N- Molecular formula
- C11H18N2O
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.1419132
Overview
4-[2-(Dimethylamino)ethoxy]benzylamine is an aromatic amine.
Names & identifiers
- Preferred name
- p-(2-(Dimethylamino)ethoxy)benzylamine
- IUPAC
- 2-[4-(aminomethyl)phenoxy]-N,N-dimethylethanamine
- English name
- 4-[2-(Dimethylamino)ethoxy]benzylamine
- Molecular formula
- C11H18N2O
- Molecular weight
- 194.27
Names & synonyms
20059-73-8p-(2-(Dimethylamino)ethoxy)benzylamine4-[2-(Dimethylamino)ethoxy]benzenemethanamineEINECS 243-491-9P-[2-(dimethylamino)ethoxy]benzylamineDTXSID101738704-(2-(Dimethylamino)ethoxy)benzenemethanamineRefChem:857920DTXCID9096361243-491-94-[2-(Dimethylamino)ethoxy]benzylamine2-(4-(Aminomethyl)phenoxy)-N,N-dimethylethanamine
Show more names
Itopride Impurity 34-[2-(DIMETHYLAMINA) 98+%Acetaminophen Impurity 11Itopride Impurity 6 DiHCl4-[2-(dimethylamino)ethoxy4-[2-(Dimethylamino)Ethoxy]Ben4-[2-(Dimethylamino)oxy]benzylamineP-[2-(Dimthylamino)ethoxy]benzylamine4-(2-(Dimethylamino)ethyl)benzylamine
2-[4-(aminomethyl)phenoxy]-N,N-dimethylethanamineBENZENEMETHANAMINE, 4-[2-(DIMETHYLAMINO)ETHOXY]-MFCD010752314-(2-dimethylamino)-ethoxybenzylamine{4-[2-(dimethylamino)ethoxy]phenyl}methanamine[2-(4-aminomethyl-phenoxy)-ethyl]-dimethyl-amine4-[2-(dimethylamino) ethoxy] benzylamineCHEMBL5218544
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 38.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 120 · 120-123 °C(Press: 0.3 Torr)
- Density
- 1.021 · 1.021±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 9.29 · 9.29±0.10(Predicted)
- form
- Oil
- color
- Colourless
- InChI
- InChI=1S/C11H18N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-9,12H2,1-2H3
- InChIKey
- OBHPRQNPNGQGCK-UHFFFAOYSA-N
- SMILES
- C1(CN)=CC=C(OCCN(C)C)C=C1
- LogP
- 0.86 · 0.860 (est)
- CAS DataBase Reference
- 20059 · 20059-73-8(CAS DataBase Reference)
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
Danger
H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 120 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (98.3%)
Safety data
- wgk
- WGK 3
- hs_code
- 2921490090
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- hazard_class
- IRRITANT
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses4-[2-(Dimethylamino)ethoxy]benzylamine is an impurity of Itopride (HCl: I931500), a gastroprokinetic benzamide derivative that is used to treat patients with dyspepsia.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
9 records
Compound notes
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