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Compound Fr12352

CAT: 0931-Fr12352-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12352-02Size:2 mg
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CAS Number
282520-55-2
Purity
0.9979
Bioactivity
Compound Fr12352, with CAS No. 282520-55-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12352 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
CN1CC(CN)Oc2ccccc12
Molecular Formula
C10H14N2O
Molecular Weight
178.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-2-YL)methylamine
CAS Number282520-55-2
PubChem CID15550374
IUPAC Name(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine
Molecular FormulaC10H14N2O
Molecular Weight178.23
XLogP0.9
Topological Polar Surface Area38.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
CN1CC(OC2=CC=CC=C21)CN
InChI
InChI=1S/C10H14N2O/c1-12-7-8(6-11)13-10-5-3-2-4-9(10)12/h2-5,8H,6-7,11H2,1H3
InChIKey
VPYSMSLDVAQICD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-2-YL)methylamine
CAS: 282520-55-2
CID: 15550374
Formula: C10H14N2O
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass178.110613074
Monoisotopic Mass178.110613074
Topological Polar Surface Area38.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr14352-01Compound Fr14352
Fr12552-01Compound Fr12552
Fr12362-01Compound Fr12362
Fr12452-01Compound Fr12452
Fr12372-01Compound Fr12372
Fr12952-01Compound Fr12952
Fr12325-01Compound Fr12325
Fr12351-01Compound Fr12351
Fr12652-01Compound Fr12652
Fr12357-01Compound Fr12357

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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