CAS 59983-39-0

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 59983-39-0, (s)-2-(methoxymethyl)pyrrolidin-1-amine, Samp, (2s)-2-(methoxymethyl)pyrrolidin-1-amine, 1-pyrrolidinamine, 2-(methoxymethyl)-, (2s)-, [s]-(-)-1-amino-2-(methoxymethyl)pyrrolidine

Molecular Formula

C₆H₁₄N₂O

Molecular Weight

130.19 g/mol

InChI Key

BWSIKGOGLDNQBZ-LURJTMIESA-N

1 2D Structure

CAS 59983-39-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(methoxymethyl)pyrrolidin-1-amine

2.1.2 InChI

InChI=1S/C6H14N2O/c1-9-5-6-3-2-4-8(6)7/h6H,2-5,7H2,1H3/t6-/m0/s1

2.1.3 InChI Key

BWSIKGOGLDNQBZ-LURJTMIESA-N

2.1.4 Canonical SMILES

COCC1CCCN1N

2.1.5 Isomeric SMILES

COC[C@@H]1CCCN1N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 4-(4-sulfophenylazo)-2-mercuriphenol

2. 4-(para-sulfophenylazo)-2-mercuriphenol

3. Samp

2.2.2 Depositor-Supplied Synonyms

1. 59983-39-0

2. (s)-2-(methoxymethyl)pyrrolidin-1-amine

3. Samp

4. (2s)-2-(methoxymethyl)pyrrolidin-1-amine

5. 1-pyrrolidinamine, 2-(methoxymethyl)-, (2s)-

6. [s]-(-)-1-amino-2-(methoxymethyl)pyrrolidine

7. (s)-1-amino-2-(methoxymethyl)pyrrolidine

8. 2-(methoxymethyl)-1-pyrrolidinamine #

9. (s)-(-)-1-amino-2-(methoxymethyl)-pyrrolidine

10. (2s)-2-(methoxymethyl)-1-pyrrolidinamine

11. (s)-(-)-2-(methoxymethyl)-1-pyrrolidinamine

12. Schembl1203933

13. Am9645

14. Mfcd00064485

15. Akos015855056

16. Akos015919243

17. (s)-1-amino-2-methoxymethylpyrrolidine

18. As-64519

19. (s)-n-amino-2-(methoxymethyl)pyrrolidine

20. (s)-2-methoxymethyl-pyrrolidin-1-yl Amine

21. (s)-(-)-1-amino-2-(methoxymethyl) Pyrrolidine

22. A832560

23. J-502311

24. (s)-(-)-1-amino-2-(methoxymethyl)pyrrolidine, 95%

25. (s)-1-amino-2-methoxymethylpyrrolidine (samp)

2.3 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₄N₂O
Molecular Weight	130.19 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	38.5
Heavy Atom Count	9
Formal Charge	0
Complexity	87.1
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	1

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