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1-Heptanol-d15

CAT: 0804-HY-W099504S-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W099504S-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
N-Heptyl Alcohol-d15 is the deuterium labeled 1-Heptanol[1].
CAS Number
194793-95-8
Product Name Alternative
N-Heptyl alcohol-d15
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
99.0
Solubility
10 mM in DMSO
Smiles
OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C7HD15O
Molecular Weight
131.29
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

N-Heptyl-D15 alcohol

See also: Heptanol (annotation moved to).

CAS Number194793-95-8
PubChem CID56845937
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecadeuterioheptan-1-ol
Molecular FormulaC7H16O
Molecular Weight131.29
XLogP2.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count8
Formal Charge0
Complexity35
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
InChI
InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2
InChIKey
BBMCTIGTTCKYKF-PMELWRBQSA-N
Chemical Structure
2D Structure
2D structure of N-Heptyl-D15 alcohol
CAS: 194793-95-8
CID: 56845937
Formula: C7H16O
MW: 131.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.29
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass131.214266319
Monoisotopic Mass131.214266319
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity35.4
Isotope Atom Count15
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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Alternative Products

CatalogName
TN6893-011-Heptanol
MBS6093348-01Amantadine-d15 Hydrochloride (Tricyclo[3.3.1.13,7]decan-d15-1-amine Hydrochloride, EXP-105-1-d15, NSC-83653-d15, Adekin-d15, Lysovir-d15, Mantadan-d15, Mantadine-d15, Mantadix-d15, Symmetrel-d15, Virofral-d15, 1-Adamantan-d15-amine)
MBS393329-01Heptanol
AR-A06079-01Amantadine-d15 (1-Amino Adamantane-d15)
SL1039-51-Aminoadamantane-d15
B6838911-Bromoheptane-d15
409528-011-Chloroadamantane-d15
TRC-A207902-25MG1-Adamantanecarboxamide-d15
TRC-A207911-1MG1-Hydroxyadamantane-d15
GTR19232833Sphingosine (d15:1)

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