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Also known as: 1210348-34-7, Tert-butyl n-[(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate oxalate, Tert-butyl [(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate, Tert-butyl n-[(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic acid, Tert - butyl [(1r,2s,5s) - 2 - amino - 5 - [(dimethylamino)carbonyl]cyclohexyl]carbamate oxalate, Tert-butyl ((1r,2s,5s)-2-amino-5-((dimethylamino)carbonyl)cyclohexyl)carbamate oxalate
Molecular Formula
C16H29N3O7
Molecular Weight
375.42  g/mol
InChI Key
IERZZGXDUZIMSC-PBDVDRNWSA-N

CAS 1210348-34-7
1 2D Structure

CAS 1210348-34-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic acid
2.1.2 InChI
InChI=1S/C14H27N3O3.C2H2O4/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5;3-1(4)2(5)6/h9-11H,6-8,15H2,1-5H3,(H,16,19);(H,3,4)(H,5,6)/t9-,10-,11+;/m0./s1
2.1.3 InChI Key
IERZZGXDUZIMSC-PBDVDRNWSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC1CC(CCC1N)C(=O)N(C)C.C(=O)(C(=O)O)O
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C.C(=O)(C(=O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1210348-34-7

2. Tert-butyl N-[(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate Oxalate

3. Tert-butyl [(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate Oxalate

4. Tert-butyl N-[(1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;oxalic Acid

5. Tert - Butyl [(1r,2s,5s) - 2 - Amino - 5 - [(dimethylamino)carbonyl]cyclohexyl]carbamate Oxalate

6. Tert-butyl ((1r,2s,5s)-2-amino-5-((dimethylamino)carbonyl)cyclohexyl)carbamate Oxalate

7. Tert-butyl {(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl}carbamate Oxalate

8. Ethanediamide Impurity A

9. Amy19407

10. Cs-m3400

11. Mfcd28501698

12. Akos025289771

13. Ds-7605

14. Tert-butyl[(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate Oxalate

15. P15585

16. A851763

17. T-butyl {(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl}carbamate Oxalate

18. Tert-butyl((1r,2s,5s)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamateoxalate

19. Tert-butyl(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexylcarbamate Oxalate

2.3 Create Date
2010-10-18
3 Chemical and Physical Properties
Molecular Weight 375.42 g/mol
Molecular Formula C16H29N3O7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass375.20055027 g/mol
Monoisotopic Mass375.20055027 g/mol
Topological Polar Surface Area159 Ų
Heavy Atom Count26
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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Virtual BoothShanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

tert-Butyl [(1R,2S,5S)-2- amino-5- [(dimethylamino...

CAS Number : 1210348-34-7

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About the Company : ​Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. The...

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Tert-butyl(1R, 2S, 5S)-2-amino-5-((dimethylamino)c...

CAS Number : 1210348-34-7

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About the Company : Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cang...

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tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbam...

CAS Number : 1210348-34-7

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About the Company : Hiray Pharma Solutions is an international end-to-end CDMO, facilitating the development and manufacturing of important drug products and key intermediates around the world. We provide ...

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Tert-Butyl [(1R,25,5S)-2-Amino-5-[(dimethylamino)c...

CAS Number : 1210348-34-7

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About the Company : Saptagir Laboratories Private incorporated in 2016, is a manufacturer and supplier of Active Pharmaceutical Ingredients (APIs) and Intermediates for a wide range of therapeutic categori...

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N-[(1R,2S,5S)-2-amino-5- (dimethylamino)carbonyl]c...

CAS Number : 1210348-34-7

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About the Company : Speranza Chemical is a professional manufacturer of Fine Chemicals for more than 10years. Our Chemical factory locates in Handan Chemical Industry Zone, Hebei province with total invest...

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