3-Amino-3-(3-phenoxyphenyl)propanoic acid
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Basic information
- CAS
202131-32-6- Standard SMILES
NC(CC(=O)O)c1cccc(Oc2ccccc2)c1- InChIKey
DOHHGYXZPWMNKT-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
- Monoisotopic mass
- 257.10519334
Names & identifiers
- Preferred name
- 3-Amino-3-(3-phenoxyphenyl)propanoic acid
- IUPAC
- 3-amino-3-(3-phenoxyphenyl)propanoic acid
- English name
- 3-(3-PHENOXYPHENYL)-DL-BETA-ALANINE
- Molecular formula
- C15H15NO3
- Molecular weight
- 257.29
Names & synonyms
3-amino-3-(3-phenoxyphenyl)propanoic acid202131-32-6DTXSID00942299RefChem:497112DTXCID40893574674-820-83-(3-phenoxyphenyl)-dl-beta-alanine3-Amino-3-(3-phenoxy-phenyl)-propionic acidMFCD00187204Enamine_005462b-Amino-3-phenoxy-benzenepropanoic acidBenzenepropanoic acid, beta-amino-3-phenoxy-
Show more names
3-ammonio-3-[3-(phenoxy)phenyl]propionate3-ammonio-3-[3-(phenoxy)phenyl]propanoateBenzenepropanoic acid, β-amino-3-phenoxy-(R)-1-([1,1'-biphenyl]-2-yl)propan-1-amine3-azaniumyl-3-[3-(phenoxy)phenyl]propanoate
ALBB-006647beta-Amino-3-phenoxy-benzenepropanoic acid3-azaniumyl-3-(3-phenoxyphenyl)propanoateBenzenepropanoic acid, |A-amino-3-phenoxy-SCHEMBL6922512DL- -(3-Phenoxyphenyl)alaninedl-beta-(3-phenoxyphenyl)alanine3-(3-phenoxyphenyl)-beta-alanine
Database identifiers
- CAS
202131-32-6- PubChem CID
- 5124138
- DTXSID
DTXSID00942299- EC Number
- 674-820-8
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 210 · 210-211 °C (decomp)(Solv: acetone (67-64-1))
- Boiling point
- 421.7 · 421.7±40.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3 · 3+-.0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HazardClass
- IRRITANT
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
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Compound notes
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