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Compound Fr13943

CAT: 0013-GTR19270009-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19270009-01Size:1 mg
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Description
Compound Fr13943, with CAS No. 7409-09-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13943 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
7409-09-8
Smiles
CCNC1=CC=C (C=C1) C (O) =O
Molecular Formula
C9H11NO2
Molecular Weight
165.1891
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(Ethylamino)benzoic acid
CAS Number7409-09-8
PubChem CID2775249
IUPAC Name4-(ethylamino)benzoic acid
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP2.5
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CCNC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H11NO2/c1-2-10-8-5-3-7(4-6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
InChIKey
SWXFMMWYVSYQGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Ethylamino)benzoic acid
CAS: 7409-09-8
CID: 2775249
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area49.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19270010-01Compound Fr13945
GTR19269881-01Compound Fr13143
GTR19269871-01Compound Fr13043
GTR19270011-01Compound Fr13949
GTR19270005-01Compound Fr13919
GTR19269976-01Compound Fr13783
GTR19269947-01Compound Fr13663
GTR19269932-01Compound Fr13547
GTR19269928-01Compound Fr13491
GTR19269925-01Compound Fr13453

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090
Fr14018-01Compound Fr14018
Fr13991-01Compound Fr13991
Fr13830-01Compound Fr13830
Fr13814-01Compound Fr13814

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