Bis(2-Methoxyethyl)amine
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Basic information
- CAS
111-95-5- Standard SMILES
COCCNCCOC- InChIKey
IBZKBSXREAQDTO-UHFFFAOYSA-N- Molecular formula
- C6H15NO2
- Average molar mass
- 133.19 g/mol
- Monoisotopic mass
- 133.11027872
Overview
structure
Names & identifiers
- Preferred name
- Bis(2-Methoxyethyl)amine
- IUPAC
- 2-methoxy-N-(2-methoxyethyl)ethanamine
- English name
- Bis(2-methoxyethyl)amine
- Molecular formula
- C6H15NO2
- Molecular weight
- 133.19
Names & synonyms
Bis(2-Methoxyethyl)amine111-95-52-Methoxy-N-(2-methoxyethyl)ethanamineDimethoxyethylamineEthanamine, 2-methoxy-N-(2-methoxyethyl)-DTXSID4059411RefChem:134193DTXCID0033207203-923-92,2'-DimethoxydiethylamineBis(methoxyethyl)amineBis-(2-methoxyethyl)-amine
Show more names
NSC 78431Bis(2-Methoxyethyl)aMine 98%Bis(2-methoxyethyl)amine, 98+%BIS(2-METHOXYETHYL)AMINE USP/EP/BP2-Methoxy-N-(2-methoxyethyl)-ethanam2-methoxy-n-(2-methoxyethyl)-ethanamin2-methoxy-N-(2-methoxyethyl)-Ethanamine
MFCD00025906N,N-bis(2-methoxyethyl)amineDiethylamine, 2,2'-dimethoxy-NSC-784312-Methoxy-N-(2-methoxyethyl)ethanamine; 2,2'-Dimethoxydiethylamine; Bis(2-methoxyethyl)amine; Di(2-methoxyethyl)amine; N,N-Bis(2-methoxyethyl)amine; NSC 78431Di-(2-methoxyethyl)amineBis(2-methoxyethyl);aminebismethoxyethylamine
Database identifiers
- CAS
111-95-5- PubChem CID
- 2383
- DTXSID
DTXSID4059411- UNII
- UEJ75Q8JL5
- EC Number
- 203-923-9
- Nikkaji
- J193.599B
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 44.3
Physicochemical properties
- Melting point
- -60 °C · <-60°C
- Boiling point
- 170 · 170-172 °C(lit.)
- Density
- 0.902 g/mL · 0.902 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.419(lit.)
- Flash point
- 137 °F · 137 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Water Solubility
- Completely miscible in water
- form
- clear liquid
- pka
- 8.67 · 8.67±0.19(Predicted)
- color
- Colorless to Light orange to Yellow
- BRN
- 1736313 · 1736313
- Henry's Law Constant
- 1.1 · 1.1×102 mol/(m3Pa) at 25℃, Du et al. (2017)
- InChI
- 1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3
- InChIKey
- IBZKBSXREAQDTO-UHFFFAOYSA-N
- SMILES
- COCCNCCOC
- LogP
- -0.373 · -0.373 (est)
- CAS DataBase Reference
- 111 · 111-95-5(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Ethanamine, 2-methoxy-N-(2-methoxyethyl)- (111-95-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H312-H314
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2734 · UN 2734 8/PG 2
- WGK Germany
- 3 · 3
- F
- 34 · 34
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29221990 · 29221990
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalEye · Acute Tox. 4 DermalEye Dam. 1Flam. Liq. 3Skin Corr. 1B
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 75 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29221990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H312-H314
- Hazard Classifications
- Acute Tox. 4 DermalEye Dam. 1Flam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanamine, 2-methoxy-N-(2-methoxyethyl)-: ACTIVE
Applications
UsesBis(2-methoxyethyl)amine is used to prepare pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of cyclin-dependent kinases 4 and 6. It is also used to synthesize (pyridyl)pyrazolopyrimidines as corticotropin-releasing factor receptor antagonists.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
154 records
Compound notes
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