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Compound Fr13621

CAT: 0013-GTR19269941-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269941-02Size:5 mg
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Description
Compound Fr13621, with CAS No. 205639-90-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13621 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
205639-90-3
Smiles
Cl.N[C@H]1[C@@H] (CO) [C@@H]2C[C@H]1C=C2 |c:9, TLB:4:3:7:10.9, THB:1:2:7:10.9|
Molecular Formula
C8H13NO.ClH
Molecular Weight
175.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

diendo-(3-Amino-bicyclo[2.2.1]hept-5-en-2-yl)-methanol hydrochloride
CAS Number205639-90-3
PubChem CID72208315
IUPAC Name[(1S,2R,3S,4R)-3-amino-2-bicyclo[2.2.1]hept-5-enyl]methanol;hydrochloride
Molecular FormulaC8H14ClNO
Molecular Weight175.65
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity167
SMILES
C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2CO)N.Cl
InChI
InChI=1S/C8H13NO.ClH/c9-8-6-2-1-5(3-6)7(8)4-10;/h1-2,5-8,10H,3-4,9H2;1H/t5-,6+,7-,8+;/m1./s1
InChIKey
VIAVFZWOASZJFH-ICDZOTBQSA-N
Chemical Structure
2D Structure
2D structure of diendo-(3-Amino-bicyclo[2.2.1]hept-5-en-2-yl)-methanol hydrochloride
CAS: 205639-90-3
CID: 72208315
Formula: C8H14ClNO
MW: 175.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.65
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass175.0763918
Monoisotopic Mass175.0763918
Topological Polar Surface Area46.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
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GTR19269947-01Compound Fr13663
GTR19269940-01Compound Fr13618
GTR19269928-01Compound Fr13491
GTR19269911-01Compound Fr13326
GTR19269910-01Compound Fr13322
GTR19269901-01Compound Fr13281
GTR19269894-01Compound Fr13218

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ALX-550-516-M025Compound A
C8444-50Compound C108
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A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
Fr16729-01Compound Fr16729
PDK0296-01Compound PDK0296
PDK0264-01Compound PDK0264
Fr14090-01Compound Fr14090

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