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Compound Fr14037

CAT: 0931-Fr14037-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14037-01Size:200 mg
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CAS Number
4187-56-8
Bioactivity
Compound Fr14037, with CAS No. 4187-56-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14037 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.
Smiles
C[C@H](N)c1ccc(Cl)cc1
Molecular Formula
C8H10ClN
Molecular Weight
155.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-(-)-1-(4-chlorophenyl)ethylamine

(S)-1-(4-Chlorophenyl)ethylamine is an organochlorine compound.

CAS Number4187-56-8
PubChem CID1550852
IUPAC Name(1S)-1-(4-chlorophenyl)ethanamine
Molecular FormulaC8H10ClN
Molecular Weight155.62
XLogP1.8
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity97
SMILES
C[C@@H](C1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKey
PINPOEWMCLFRRB-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of (S)-(-)-1-(4-chlorophenyl)ethylamine
CAS: 4187-56-8
CID: 1550852
Formula: C8H10ClN
MW: 155.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.62
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass155.0501770
Monoisotopic Mass155.0501770
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity97.4
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr14307-01Compound Fr14307
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Fr14030-01Compound Fr14030
Fr14017-01Compound Fr14017
Fr14027-01Compound Fr14027
Fr14137-01Compound Fr14137
Fr14047-01Compound Fr14047
Fr14067-01Compound Fr14067
Fr14097-01Compound Fr14097

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-14176-01Compound E
255023-01Compound 401
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254
MBS3613444-01Compound W
MBS3613725-01Compound 3344
MBS3613756-01Compound 23

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