Close
4
FDA_Warning_Letters, Import_Alerts_&_EU_Non-Compliances_in_2019
X

Overview

Client Email Product
CAS 1653-16-3
PharmaCompass
CAS 1653-16-3
Also known as: 2-ethylhexyl iodide, 1653-16-3, Heptane, 3-(iodomethyl)-, 2-ethyl-1-iodohexane, Sbb061182, Einecs 216-720-5
Molecular Formula
C8H17I
Molecular Weight
240.128  g/mol
InChI Key
WNPGSEJRPYSCDQ-UHFFFAOYSA-N

1 2D Structure

CAS 1653-16-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(iodomethyl)heptane
2.1.2 InChI
InChI=1S/C8H17I/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
2.1.3 InChI Key
WNPGSEJRPYSCDQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCC(CC)CI
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2-ethylhexyl Iodide

2. 1653-16-3

3. Heptane, 3-(iodomethyl)-

4. 2-ethyl-1-iodohexane

5. Sbb061182

6. Einecs 216-720-5

7. Ac1l2tae

8. Heptane,3-(iodomethyl)-

9. 2-ethylhexyl Iodide, 97%

10. Acmc-1by99

11. Schembl868002

12. Ctk8c6041

13. Molport-003-933-066

14. Wnpgsejrpyscdq-uhfffaoysa-n

15. 7977af

16. Akos009156712

17. Mcule-8161503442

18. Lp003082

19. Db-043613

20. Tc-170635

21. Ft-0633735

22. St51047233

23. J-802083

24. I14-49420

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 240.128 g/mol
Molecular Formula C8H17I
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass240.037 g/mol
Monoisotopic Mass240.037 g/mol
Topological Polar Surface Area0 A^2
Heavy Atom Count9
Formal Charge0
Complexity52.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us