4-Aminohydratropic acid
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Basic information
- CAS
59430-62-5- Standard SMILES
CC(C(=O)O)c1ccc(N)cc1- InChIKey
WOMVICAMAQURRN-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Overview
2-(4-Aminophenyl)propanoic acid has been reported in Gymnocladus dioicus with data available.
Names & identifiers
- Preferred name
- 4-Aminohydratropic acid
- IUPAC
- 2-(4-aminophenyl)propanoic acid
- English name
- 4-aminohydratropic acid
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
4-Aminohydratropic acidRefChem:518236261-758-82-(4-aminophenyl)propanoic acid59430-62-5MFCD008002332-(4-Aminophenyl)propanoicacidN-DeallylalminoprofenEINECS 261-758-8Hydratropic acid, p-amino-, (+-)-(+-)-2-(4-Aminophenyl)propionic acid(+-)-alpha-(p-Aminophenyl)propionic acid
Show more names
Benzeneacetic acid, 4-amino-α-methyl-
2-(4-aminophenyl)propionic acid2-(4-Aminophenyl)propanoic-acidBENZENEACETIC ACID, 4-AMINO-alpha-METHYL-, (+-)-p-Aminophenylpropionsaure4-aminophenylpropanoic acidBionet2_001139SCHEMBL4803312-(4-aminophenyl)propionicacid
Database identifiers
- CAS
59430-62-5- PubChem CID
- 43026
- DTXSID
DTXSID40974837- EC Number
- 261-758-8
- Nikkaji
- J35.825H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 132 · 132-134°
- Boiling point
- 345 · 345.0±17.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly, Heated), Ethanol (Slightly, Sonicated)
- form
- Solid
- pka
- 4.01 · 4.01±0.10(Predicted)
- color
- Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2922498590 · 2922498590
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
Warning
H315 (100%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-(4-Aminophenyl)propanoic acid is a reagent in the preparation of 3-aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents (Erratum).
Upstream & downstream products
Downstream products
Related reactions
28 records
Compound notes
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