Basic information
- Standard SMILES
CCOC(=O)COc1cccc(N)c1- InChIKey
IVWPPUWTINZQIK-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- Ethyl 2-(3-aminophenoxy)acetate
- IUPAC
- ethyl 2-(3-aminophenoxy)acetate
- English name
- ethyl 2-(3-aminophenoxy)acetate
- Molecular formula
- C10H13NO3
- Molecular weight
- 195.22
Names & synonyms
ethyl 2-(3-aminophenoxy)acetate58559-52-75544-78-5DTXSID80328597RefChem:342406DTXCID90279703827-122-4ethyl (3-aminophenoxy)acetateethyl 3-aminophenoxyacetateSCHEMBL655678SCHEMBL29577774IVWPPUWTINZQIK-UHFFFAOYSA-N
Show more names
Acetic acid, 2-(3-aminophenoxy)-, ethyl ester
MFCD00277667AKOS000132429(3-aminophenoxy)-acetic acid ethyl esterDA-04656(3-Amino-phenoxy)-acetic acid ethyl esterCS-0247218EN300-36044A1-11330
Database identifiers
- CAS
5544-78-5、58559-52-7- PubChem CID
- 412308
- DTXSID
DTXSID80328597- EC Number
- 180-918-7、827-122-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 324.9 · 324.9±17.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- pka
- 4.02 · 4.02±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H319-H315-H335-H302-H332
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H319-H315-H335-H302-H332
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
48 records
Linked notes
Loading…