Basic information
- CAS
14338-36-4- Standard SMILES
Nc1cccc(CC(=O)O)c1- InChIKey
XUSKZLBLGHBCLD-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- (3-Aminophenyl)acetic acid
- IUPAC
- 2-(3-aminophenyl)acetic acid
- English name
- 3-Aminophenylacetic acid
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
3-Aminophenylacetic acid(3-aminophenyl)acetic acidDTXSID80931848RefChem:399895DTXCID001360550604-350-014338-36-42-(3-aminophenyl)acetic acidBenzeneacetic acid, 3-amino-MFCD000750583-Aminobenzeneacetic acid3-amino-phenylacetic acid
Show more names
METHYL 3-AMINOPHENYLACETATE Hydrochloride3-Amino-benzeneacetic Acid3-(Carboxymethyl)aniline(m-Aminophenyl)acetic Acid2-(3-Aminophenyl)acetic Aci3-Aminophenylacetic acid 97%3-AMinophenylacetic acid, 95+%
SCHEMBL166538(3-Amino-phenyl)-acetic acidSTR02666CL8768AKOS000299628SY005117AE-562/43460501CHEMBL535865
Database identifiers
- CAS
14338-36-4- PubChem CID
- 571807
- DTXSID
DTXSID80931848- ChEMBL
CHEMBL1188282、CHEMBL535865- EC Number
- 604-350-0
- Nikkaji
- J81.752J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 147 · 147-150 °C (lit.)
- Boiling point
- 349.8 · 349.8±17.0 °C(Predicted)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · glass bottle, -20°C Freezer
- solubility
- DMSO, Methanol, Water
- pka
- 4.08 · 4.08±0.10(Predicted)
- form
- Crystalline Powder
- color
- Off-white to light yellow
- Stability
- Light Sensitive
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C8H9NO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
- InChIKey
- XUSKZLBLGHBCLD-UHFFFAOYSA-N
- SMILES
- C1(CC(O)=O)=CC=CC(N)=C1
- CAS DataBase Reference
- 14338 · 14338-36-4(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · 3-Aminophenylacetic acid (14338-36-4)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29224999 · 29224999
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29224999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Aminophenylacetic acid is a useful synthetic intermediate.
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]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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Related reactions
53 records
Compound notes
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