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4-Methoxybenzylamine-d3

CAT: 0804-HY-Y0869S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0869S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Methoxybenzylamine-d3 is the deuterium labeled 4-Methoxybenzylamine[1].
CAS Number
2289707-21-5
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
NCC1=CC=C(OC([2H])([2H])[2H])C=C1
Molecular Formula
C8H8D3NO
Molecular Weight
140.20
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

4-Methoxybenzylamine-d3
CAS Number2289707-21-5
PubChem CID150529903
IUPAC Name[4-(trideuteriomethoxy)phenyl]methanamine
Molecular FormulaC8H11NO
Molecular Weight140.20
XLogP0.8
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity87
SMILES
[2H]C([2H])([2H])OC1=CC=C(C=C1)CN
InChI
InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3/i1D3
InChIKey
IDPURXSQCKYKIJ-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxybenzylamine-d3
CAS: 2289707-21-5
CID: 150529903
Formula: C8H11NO
MW: 140.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.20
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass140.102894212
Monoisotopic Mass140.102894212
Topological Polar Surface Area35.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity87.3
Isotope Atom Count3
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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