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6-phenylmethoxyhexan-1-amine

CAT: 1731-AL MK 0179-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1731-AL MK 0179-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108296-16-8
MDL Number
MFCD09923536
Purity
0.95
Smiles
NCCCCCCOCc1ccccc1
Shipping Conditions
Room temperature, no cold chain required

Chemical Information

6-(Benzyloxy)hexan-1-amine
CAS Number108296-16-8
PubChem CID13808938
IUPAC Name6-phenylmethoxyhexan-1-amine
Molecular FormulaC13H21NO
Molecular Weight207.31
XLogP2.1
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count15
Formal Charge0
Complexity132
SMILES
C1=CC=C(C=C1)COCCCCCCN
InChI
InChI=1S/C13H21NO/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,14H2
InChIKey
AWUVYSUPQKHOOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(Benzyloxy)hexan-1-amine
CAS: 108296-16-8
CID: 13808938
Formula: C13H21NO
MW: 207.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.31
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass207.162314293
Monoisotopic Mass207.162314293
Topological Polar Surface Area35.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity132
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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