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Compound Fr13871

CAT: 0931-Fr13871-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13871-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
673-66-5
Purity
0.9973
Bioactivity
Compound Fr13871, with CAS No. 673-66-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13871 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
O=C1CCCCCCN1
Molecular Formula
C7H13NO
Molecular Weight
127.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Enantholactam

effects central nervous system activity

CAS Number673-66-5
PubChem CID12657
IUPAC Nameazocan-2-one
Molecular FormulaC7H13NO
Molecular Weight127.18
XLogP0.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity101
SMILES
C1CCCNC(=O)CC1
InChI
InChI=1S/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)
InChIKey
CJYXCQLOZNIMFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Enantholactam
CAS: 673-66-5
CID: 12657
Formula: C7H13NO
MW: 127.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight127.18
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass127.099714038
Monoisotopic Mass127.099714038
Topological Polar Surface Area29.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity101
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
Fr13841-01Compound Fr13841
Fr13811-01Compound Fr13811
Fr13771-01Compound Fr13771
Fr13873-01Compound Fr13873
Fr13876-01Compound Fr13876
Fr13781-01Compound Fr13781
Fr13471-01Compound Fr13471
Fr13671-01Compound Fr13671
Fr13371-01Compound Fr13371
Fr13831-01Compound Fr13831

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CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-U00358Compound 2
255023-01Compound 401
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
ALX-270-455-M005Compound 15e

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