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Compound Fr13487

CAT: 0931-Fr13487-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13487-02Size:5 mg
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CAS Number
910037-07-9
Bioactivity
Compound Fr13487, with CAS No. 910037-07-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13487 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
CNCc1ccc(cc1)N1CCCN(C)CC1
Molecular Formula
C14H23N3
Molecular Weight
233.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine
CAS Number910037-07-9
PubChem CID18525907
IUPAC NameN-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine
Molecular FormulaC14H23N3
Molecular Weight233.35
XLogP1.6
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity212
SMILES
CNCC1=CC=C(C=C1)N2CCCN(CC2)C
InChI
InChI=1S/C14H23N3/c1-15-12-13-4-6-14(7-5-13)17-9-3-8-16(2)10-11-17/h4-7,15H,3,8-12H2,1-2H3
InChIKey
NOEOYDRQGMQWID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine
CAS: 910037-07-9
CID: 18525907
Formula: C14H23N3
MW: 233.35
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.35
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass233.189197746
Monoisotopic Mass233.189197746
Topological Polar Surface Area18.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity212
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
Fr13467-01Compound Fr13467
Fr13847-01Compound Fr13847
Fr13497-01Compound Fr13497
Fr13417-01Compound Fr13417
Fr13478-01Compound Fr13478
Fr13482-01Compound Fr13482
Fr13987-01Compound Fr13987
Fr13484-01Compound Fr13484
Fr13488-01Compound Fr13488
Fr13427-01Compound Fr13427

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

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