Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:135142
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₇I
Molecular Mass
170.98480484
Exact Mass
170.96260306
Charge
0
InChI
InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3/i1+1
InChIKey
FMKOJHQHASLBPH-OUBTZVSYSA-N
Canonic Smiles
[13CH3]C(I)C
Isomeric Smiles
CC([13CH3])I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1213927
LogD (pH = 7.4)
2.1213927
Log P
2.1213927
Molar Refractivity
28.7611
Polarizability
11.389769
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC name
•
IUPAC Traditional name
Registration numbers
•
MDL Number
•
PubChem SID
•
PubChem CID
Properties
•
Physical Property
•
Product Information
•
Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
603724
Academic Data
PubChem
71309110
Names and Identifiers
Synonyms
Isopropyl iodide-1-13C
异丙基碘-1-13C
2-Iodopropane-1-13C
2-碘代丙烷-1-13C
IUPAC name
2-iodo(1-
1
3
C)propane
IUPAC Traditional name
2-iodo(1-
1
3
C)propane
Registration numbers
MDL Number
MFCD00190326
PubChem SID
162229417
PubChem CID
71309110
Molecule Details
Sigma Aldrich
603724
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Properties
Physical Property
Density
1.713 g/mL at 25 °C
Source
Mass Shift
M+1
Source
Boiling Point
88-90 °C(lit.)
Source
Product Information
Contains
copper as stabilizer
Source
Mol. Weight
mol wt 170.98 by atom % calculation
Source
99 atom % 13C
Source
CH3CHI13CH3
Source
Safety Information
Download link
Source
Isotopic Purity
Linear Formula
MSDS Link