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Compound Fr13486

CAT: 0931-Fr13486-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13486-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
915707-48-1
Bioactivity
Compound Fr13486, with CAS No. 915707-48-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13486 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
CN1CCCN(Cc2cccc(CN)c2)CC1
Molecular Formula
C14H23N3
Molecular Weight
233.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3-((4-Methyl-1,4-diazepan-1-yl)methyl)phenyl)methanamine
CAS Number915707-48-1
PubChem CID24229554
IUPAC Name[3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
Molecular FormulaC14H23N3
Molecular Weight233.35
XLogP0.8
Topological Polar Surface Area32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity220
SMILES
CN1CCCN(CC1)CC2=CC=CC(=C2)CN
InChI
InChI=1S/C14H23N3/c1-16-6-3-7-17(9-8-16)12-14-5-2-4-13(10-14)11-15/h2,4-5,10H,3,6-9,11-12,15H2,1H3
InChIKey
MSLZRDIUXASDJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-((4-Methyl-1,4-diazepan-1-yl)methyl)phenyl)methanamine
CAS: 915707-48-1
CID: 24229554
Formula: C14H23N3
MW: 233.35
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight233.35
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass233.189197746
Monoisotopic Mass233.189197746
Topological Polar Surface Area32.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity220
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
Fr13496-01Compound Fr13496
Fr12486-01Compound Fr12486
Fr13686-01Compound Fr13686
Fr13476-01Compound Fr13476
Fr13456-01Compound Fr13456
Fr13986-01Compound Fr13986
Fr13386-01Compound Fr13386
Fr13484-01Compound Fr13484
Fr14386-01Compound Fr14386
Fr13846-01Compound Fr13846

Alternative Products

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HY-U00358Compound 2
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HY-14176-01Compound E
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1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
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