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Octan-1-amine-d17

CAT: 0804-HY-W032014S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W032014S-01Size:1 mg
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Description
Octan-1-amine-d17 is the deuterium labeled Octan-1-amine[1].
CAS Number
1173022-14-4
UNSPSC
12352211
Hazard Statement
H226, H302, H314, H411
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.0
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(N)[2H]
Molecular Formula
C8H2D17N
Molecular Weight
146.35
Precautions
H226, H302, H314, H411
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

N-Octyl-D17-amine
CAS Number1173022-14-4
PubChem CID71309016
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctan-1-amine
Molecular FormulaC8H19N
Molecular Weight146.35
XLogP3.1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity43
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N
InChI
InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
InChIKey
IOQPZZOEVPZRBK-OISRNESJSA-N
Chemical Structure
2D Structure
2D structure of N-Octyl-D17-amine
CAS: 1173022-14-4
CID: 71309016
Formula: C8H19N
MW: 146.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.35
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass146.258454291
Monoisotopic Mass146.258454291
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity43.8
Isotope Atom Count17
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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