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Compound FL0008

CAT: 0013-GTR19269677-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269677-01Size:5 mg
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Description
Compound FL0008, with CAS No. 40432-52-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0008 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
40432-52-8
Purity
99.12% (May vary between batches)
Smiles
NC1CN (C1) C (C1=CC=CC=C1) C1=CC=CC=C1
Molecular Formula
C16H18N2
Molecular Weight
238.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Amino-1-(diphenylmethyl)azetidine
CAS Number40432-52-8
PubChem CID5744546
IUPAC Name1-benzhydrylazetidin-3-amine
Molecular FormulaC16H18N2
Molecular Weight238.33
XLogP2.4
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity230
SMILES
C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2
InChIKey
LYTNNHXGUOKXFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-1-(diphenylmethyl)azetidine
CAS: 40432-52-8
CID: 5744546
Formula: C16H18N2
MW: 238.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.33
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass238.146998583
Monoisotopic Mass238.146998583
Topological Polar Surface Area29.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity230
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

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