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CAS 2204290-99-1

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Chemistry

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Also known as: 2204290-99-1, Rel-benzyl ((1r,3r)-3-(methylamino)cyclobutyl)carbamate hydrochloride, Benzyl (cis-3-(methylamino)cyclobutyl)carbamate hydrochloride, 2204270-54-0, Rel-benzyl ((1s,3s)-3-(methylamino)cyclobutyl)carbamate hydrochloride, Benzyl [cis-3-(methylamino)cyclobutyl]carbamate hydrochloride

Molecular Formula

C₁₃H₁₉ClN₂O₂

Molecular Weight

270.75 g/mol

InChI Key

AFDDDVMJIYXRIF-UHFFFAOYSA-N

1 2D Structure

CAS 2204290-99-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl N-[3-(methylamino)cyclobutyl]carbamate;hydrochloride

2.1.2 InChI

InChI=1S/C13H18N2O2.ClH/c1-14-11-7-12(8-11)15-13(16)17-9-10-5-3-2-4-6-10;/h2-6,11-12,14H,7-9H2,1H3,(H,15,16);1H

2.1.3 InChI Key

AFDDDVMJIYXRIF-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2204290-99-1

2. Rel-benzyl ((1r,3r)-3-(methylamino)cyclobutyl)carbamate Hydrochloride

3. Benzyl (cis-3-(methylamino)cyclobutyl)carbamate Hydrochloride

4. 2204270-54-0

5. Rel-benzyl ((1s,3s)-3-(methylamino)cyclobutyl)carbamate Hydrochloride

6. Benzyl [cis-3-(methylamino)cyclobutyl]carbamate Hydrochloride

7. Starbld0047749

8. Schembl28634712

9. Schembl28634714

10. Cs-0372303

11. H84894

12. Benzyl (1s,3s)-3-(methylamino)cyclobutylcarbamate Hydrochloride

13. Benzyl Trans-n-[3-(methylamino)cyclobutyl]carbamate;hydrochloride

2.3 Create Date

2021-04-22

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₉ClN₂O₂
Molecular Weight	270.75 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	50.4
Heavy Atom Count	18
Formal Charge	0
Complexity	246
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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