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1-Bromoheptane-d1

CAT: 0804-HY-W016577S4Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W016577S4Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1-Bromoheptane-d1 is the deuterium labeled 1-Bromoheptane[1].
CAS Number
38007-40-8
Product Name Alternative
N-Heptyl bromide-d1
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Solubility
10 mM in DMSO
Smiles
CCCCCCC(Br)[2H]
Molecular Formula
C7H14DBr
Molecular Weight
180.10
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Heptane-1-d, 1-bromo-
CAS Number38007-40-8
PubChem CID122236806
IUPAC Name1-bromo-1-deuterioheptane
Molecular FormulaC7H15Br
Molecular Weight180.10
XLogP4.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Heavy Atom Count8
Formal Charge0
Complexity35
SMILES
[2H]C(CCCCCC)Br
InChI
InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3/i7D
InChIKey
LSXKDWGTSHCFPP-WHRKIXHSSA-N
Chemical Structure
2D Structure
2D structure of Heptane-1-d, 1-bromo-
CAS: 38007-40-8
CID: 122236806
Formula: C7H15Br
MW: 180.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.10
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass179.04199
Monoisotopic Mass179.04199
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity35.4
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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