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N-Phenyloxetan-3-amine

CAT: 0926-RDC38550-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-RDC38550-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1341385-50-9
MDL Number
MFCD18849128
Smiles
C1C (CO1) NC2=CC=CC=C2
Molecular Formula
C9H11NO
Molecular Weight
149.19 g/mol
Controlled
No

Chemical Information

N-phenyloxetan-3-amine
CAS Number1341385-50-9
PubChem CID63624742
IUPAC NameN-phenyloxetan-3-amine
Molecular FormulaC9H11NO
Molecular Weight149.19
XLogP1.6
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity117
SMILES
C1C(CO1)NC2=CC=CC=C2
InChI
InChI=1S/C9H11NO/c1-2-4-8(5-3-1)10-9-6-11-7-9/h1-5,9-10H,6-7H2
InChIKey
UZBJFLYGMMUGTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-phenyloxetan-3-amine
CAS: 1341385-50-9
CID: 63624742
Formula: C9H11NO
MW: 149.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.19
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass149.084063974
Monoisotopic Mass149.084063974
Topological Polar Surface Area21.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity117
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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