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CAS 1897428-40-8

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Also known as: Pyrrolidine, 2,2,4-trimethyl-, hydrochloride (1:1), (4s)-, Refchem:407826, 943-629-4, 1897428-40-8, (4s)-2,2,4-trimethylpyrrolidine hydrochloride, (s)-2,2,4-trimethylpyrrolidine hydrochloride; (s)-2,2,4-trimethylpyrrolidine hydrochloride

Molecular Formula

C₇H₁₆ClN

Molecular Weight

149.66 g/mol

InChI Key

HWUWODDRROSFEJ-RGMNGODLSA-N

1 2D Structure

CAS 1897428-40-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4S)-2,2,4-trimethylpyrrolidine;hydrochloride

2.1.2 InChI

InChI=1S/C7H15N.ClH/c1-6-4-7(2,3)8-5-6;/h6,8H,4-5H2,1-3H3;1H/t6-;/m0./s1

2.1.3 InChI Key

HWUWODDRROSFEJ-RGMNGODLSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Pyrrolidine, 2,2,4-trimethyl-, Hydrochloride (1:1), (4s)-

2. Refchem:407826

3. 943-629-4

4. 1897428-40-8

5. (4s)-2,2,4-trimethylpyrrolidine Hydrochloride

6. (s)-2,2,4-trimethylpyrrolidine Hydrochloride; (s)-2,2,4-trimethylpyrrolidine Hydrochloride

7. (4s)-2,2,4-trimethylpyrrolidine;hydrochloride

8. Schembl17646909

9. Hwuwoddrrosfej-rgmngodlsa-n

10. Mfcd32704905

11. Db-145970

12. Cs-0094199

13. D75540

14. F608719

2.3 Create Date

2016-08-06

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₆ClN
Molecular Weight	149.66 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	12
Heavy Atom Count	9
Formal Charge	0
Complexity	86.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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