Basic information
- CAS
1836-62-0- Standard SMILES
COc1ccccc1OCCN- InChIKey
CKJRKLKVCHMWLV-UHFFFAOYSA-N- Molecular formula
- C9H13NO2
- Average molar mass
- 167.2 g/mol
- Monoisotopic mass
- 167.09462866
Names & identifiers
- Preferred name
- 2-(2-Methoxyphenoxy)ethyl amine
- IUPAC
- 2-(2-methoxyphenoxy)ethanamine
- English name
- 2-(2-Methoxyphenoxy)ethylamine
- Molecular formula
- C9H13NO2
- Molecular weight
- 167.21
Names & synonyms
2-(2-Methoxyphenoxy)ethylamine1836-62-02-(2-methoxyphenoxy)ethanamineEthanamine, 2-(2-methoxyphenoxy)-2-(2-methoxyphenoxy)ethyl amineGuaiacoxyethylamine1-(2-Aminoethoxy)-2-methoxybenzene2-(o-Methoxyphenoxy)ethylamine20S0VX4QT9DTXSID80171449EC 606-000-2RefChem:454099
Show more names
AKOS B0300912-(2-MethoxyRARECHEM AL BW 0993Carvedilol IMpurity-E2-(Aminoethoxy)-anisoleo-Methoxyphenoxyethamine2-(2-Aminoethoxy)-anisole2-(2-Methoxyphenoxy)ethyL2-(2'-AMINO ETHOXYL) ANISOLE
DTXCID8093940606-000-2MFCD002351852-(2-Aminoethoxy)anisole-d32-(2-methoxyphenoxy)ethan-1-amineCarvedilol Impurity 52-(2-methoxy-phenoxy)-ethylamine2-(2-Aminoethoxy)anisole
Database identifiers
- CAS
1836-62-0- PubChem CID
- 1713005
- DTXSID
DTXSID80171449- UNII
- 20S0VX4QT9
- EC Number
- 606-000-2
- Nikkaji
- J2.649.800G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 98 °C · 98 °C / 0.4mmHg
- Density
- 1.11 · 1.11
- vapor pressure
- 1.573 Pa · 1.573Pa at 25℃
- refractive index
- 1.544 to · 1.5440 to 1.5480
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Difficult to mix.
- pka
- 8.55 · 8.55±0.10(Predicted)
- form
- Oil
- color
- Clear Colourless
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C9H13NO2/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5H,6-7,10H2,1H3
- InChIKey
- CKJRKLKVCHMWLV-UHFFFAOYSA-N
- SMILES
- C(N)COC1=CC=CC=C1OC
- CAS DataBase Reference
- 1836 · 1836-62-0(CAS DataBase Reference)
- FDA UNII
- 20 S0VX4QT9 · 20S0VX4QT9
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P501
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- RIDADR
- 2735 · UN2735
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2922190090 · 2922190090
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (4 of 56) of reports.
Danger
H302 (73.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, 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 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 15-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17911
Hazard Classes and CategoriesAcute Tox. 4 (73.2%)
Safety data
- wgk
- 3
- ridadr
- UN2735
- hs_code
- 2922190090
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302-H318
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P501
Chemistry & industry
Applications
Uses2-(2-Methoxyphenoxy)ethylamine is used for its reaction with 4-(2,3-epoxypropoxy) carbazole for preparation of Carvedilol (I).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
70 records
Compound notes
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