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4-Butylaniline-d9

CAT: 0804-HY-Y0012S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0012S1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4-Butylaniline-d9 is the deuterium labeled 4-Butylaniline[1].
CAS Number
1219794-78-1
Product Name Alternative
(4-Butylphenyl) amine-d9; 4-Butylaniline-d9
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
97.2
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1=CC=C(C=C1)N
Molecular Formula
C10H6D9N
Molecular Weight
158.29
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
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

4-Butylaniline
CAS Number1219794-78-1
PubChem CID7694
IUPAC Name4-butylaniline
Molecular FormulaC10H15N
Molecular Weight149.23
XLogP3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity93
SMILES
CCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
InChIKey
OGIQUQKNJJTLSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Butylaniline
CAS: 1219794-78-1
CID: 7694
Formula: C10H15N
MW: 149.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.23
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass149.120449483
Monoisotopic Mass149.120449483
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity93
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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OR906980-014-sec-Butylaniline
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