Home Amines 885275-89-8
885275-89-8,MFCD07784303
Catalog No.:AA003IOL
885275-89-8 | 3-[(3-Fluorophenyl)amino]propanoic acid
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1g
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5g
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Technical Information
Catalog Number:
AA003IOL
Chemical Name:
3-[(3-Fluorophenyl)amino]propanoic acid
CAS Number:
885275-89-8
Molecular Formula:
C9H10FNO2
Molecular Weight:
183.1796
MDL Number:
MFCD07784303
IUPAC Name:
3-(3-fluoroanilino)propanoic acid
InChI:
InChI=1S/C9H10FNO2/c10-7-2-1-3-8(6-7)11-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChI Key:
WKMPTGFIUPPIGN-UHFFFAOYSA-N
SMILES:
OC(=O)CCNc1cccc(c1)F
Properties
Computed Properties
 
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.07g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
183.182g/mol
Monoisotopic Mass:
183.07g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
3-[(3-Fluorophenyl)amino]propanoic acid 
885275-89-8 
WKMPTGFIUPPIGN-UHFFFAOYSA-N 
3-(3-fluoroanilino)propanoic acid 
5749AJ 
MFCD07784303 
SBB090033 
ZINC16082623 
AKOS000298373 
TRA0062278 
3-[(3-Fluorophenyl)amino]propanoicAcid 
3-(3-fluoro-phenylamino)-propionic acid 
3-[(3-Fluorophenyl)amino]propionic acid 
AS-31129 
SY020039 
N-(3-Fluorophenyl)-3-aminopropanoic acid 
3-[N-(3-fluorophenyl)]aminopropionic acid 
RT-008905 
MFCD07784303 (95%) 
Z-4567 
A842666 
C9H10FNO2 
108-67-8 
3-Fluorophenyl-DL-beta-alanine 
PubChem13942 
SCHEMBL3121096 
CTK5G0478 
KS-00000APA 
DTXSID90589450 
N-(3-Fluorophenyl)-beta-alanine 
Literature
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