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Compound Fr13616

CAT: 0931-Fr13616-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13616-01Size:500 mg
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CAS Number
123-00-2
Purity
0.9966
Bioactivity
Compound Fr13616, with CAS No. 123-00-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13616 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
NCCCN1CCOCC1
Molecular Formula
C7H16N2O
Molecular Weight
144.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-Aminopropyl)morpholine

3-morpholinopropylamine is a member of the class of morpholines that is morpholine substituted by a 3-aminopropyl group a the N atom. It is a member of morpholines and a primary amino compound. It is functionally related to a morpholine.

CAS Number123-00-2
PubChem CID61055
IUPAC Name3-morpholin-4-ylpropan-1-amine
Molecular FormulaC7H16N2O
Molecular Weight144.21
XLogP-0.7
Topological Polar Surface Area38.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity81
SMILES
C1COCCN1CCCN
InChI
InChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2
InChIKey
UIKUBYKUYUSRSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Aminopropyl)morpholine
CAS: 123-00-2
CID: 61055
Formula: C7H16N2O
MW: 144.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight144.21
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass144.126263138
Monoisotopic Mass144.126263138
Topological Polar Surface Area38.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity81.7
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