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CAS 144230-50-2
PharmaCompass
CAS 144230-50-2
Also known as: 144230-50-2, 4-methylidenepiperidine hydrochloride, 4-methylenepiperidine hcl, 4-methylene piperidine hydrochloride, Acn-034782hcl, Ac1q38r8
Molecular Formula
C6H12ClN
Molecular Weight
133.619  g/mol
InChI Key
XGMSENVPQPNOHF-UHFFFAOYSA-N

1 2D Structure

CAS 144230-50-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-methylidenepiperidine;hydrochloride
2.1.2 InChI
InChI=1S/C6H11N.ClH/c1-6-2-4-7-5-3-6;/h7H,1-5H2;1H
2.1.3 InChI Key
XGMSENVPQPNOHF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C=C1CCNCC1.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 144230-50-2

2. 4-methylidenepiperidine Hydrochloride

3. 4-methylenepiperidine Hcl

4. 4-methylene Piperidine Hydrochloride

5. Acn-034782hcl

6. Ac1q38r8

7. Schembl1338990

8. Ctk4c3999

9. Ks-00001fnh

10. Dtxsid20627435

11. Molport-016-636-346

12. Xgmsenvpqpnohf-uhfffaoysa-n

13. 4-methylene-piperidine Hydrochloride

14. Cs-d0508

15. Mfcd17977038

16. Akos015844463

17. Ne40716

18. Ak311490

19. Kb-319529

20. Tx-012061

21. Ft-0701089

22. En300-70265

23. 4-methylidenepiperidine--hydrogen Chloride (1/1)

24. F8888-3171

25. Z1895582832

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 133.619 g/mol
Molecular Formula C6H12ClN
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass133.066 g/mol
Monoisotopic Mass133.066 g/mol
Topological Polar Surface Area12 A^2
Heavy Atom Count8
Formal Charge0
Complexity68.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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