Basic information
- CAS
5438-70-0- Standard SMILES
CCOC(=O)Cc1ccc(N)cc1- InChIKey
CFNDVXUTYPXOPG-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- p-Aminophenylacetic acid ethyl ester
- IUPAC
- ethyl 2-(4-aminophenyl)acetate
- English name
- Ethyl 4-aminophenylacetate
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
Ethyl 4-Aminophenylacetate5438-70-0ethyl 2-(4-aminophenyl)acetatep-Aminophenylacetic acid ethyl ester4-Aminophenylacetic acid ethyl esterEthyl p-aminophenylacetateBenzeneacetic acid, 4-amino-, ethyl esterEthyl 4-aminobenzeneacetateNSC-14373UNII-5H8CFU7GNP4-((Ethoxycarbonyl)methyl)aniline5H8CFU7GNP
Show more names
H-APH(4)-OETTIMTEC-BB SBB005813LABOTEST-BB LT011481162-(4-aminophenyl)butanoateEthyl 4-Aminophenylacetate >Ethyl 4-aminophenylacetate, 98 %ethyl 2-(4-aminophenyl)ethanoateEthyl 4-aMinophenylacetate, 98% 1GR
Acetic acid, (p-aminophenyl)-, ethyl ester(4-((Ethoxycarbonyl)methyl)phenyl)aminep-Aminophenylacetic acid ethyl ester [MI]DTXSID30202752[4-[(Ethoxycarbonyl)methyl]phenyl]amineethyl 2-[4-aminophenyl]acetateRefChem:169278DTXCID60125243
Database identifiers
- CAS
5438-70-0- PubChem CID
- 225219
- DTXSID
DTXSID30202752- UNII
- 5H8CFU7GNP
- EC Number
- 672-760-7
- Nikkaji
- J81.033I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 48 · 48-50 °C
- Boiling point
- 120 · 120-122 °C(Press: 2 Torr)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.55 · 4.55±0.10(Predicted)
- color
- White to Orange to Green
- InChI
- InChI=1S/C10H13NO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3
- InChIKey
- CFNDVXUTYPXOPG-UHFFFAOYSA-N
- SMILES
- C1(CC(OCC)=O)=CC=C(N)C=C1
- CAS DataBase Reference
- 5438 · 5438-70-0(CAS DataBase Reference)
- FDA UNII
- 5 H8CFU7GNP · 5H8CFU7GNP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Safety data
- hs_code
- 29163400
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesUsed as an intermediate in pharmaceutical research.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
233 records
Compound notes
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