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tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 3-chloro- structure

tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 3-chloro-
  • CAS：6240-08-0
  • MW:213.7038
  • MF：C11H16ClNO
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1. Names and Identifiers
1.1 Name
tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 3-chloro-
1.2 Synonyms
3-chloro-1-adamantanecarboxamide; tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 3-chloro-;
1.3 CAS No.
6240-08-0
1.4 CID
4605931
1.5 Molecular Formula
C11H16ClNO
1.6 Inchi
InChI=1S/C11H16ClNO/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H2,13,14)
1.7 InChkey
FMXPGWNCORDLEA-UHFFFAOYSA-N
1.8 Canonical Smiles
C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)N
1.9 Isomers Smiles
C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)N
2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available
Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

View all
3. Synthesis Route
6240-08-0Total: 2 Synthesis Route
 
828-51-3
828-51-3 190 Suppliers
 
75-05-8
75-05-8 380 Suppliers
 
6240-08-0
6240-08-0 4 Suppliers
 
2094-72-6
2094-72-6 70 Suppliers
 
75-05-8
75-05-8 380 Suppliers
 
6240-08-0
6240-08-0 4 Suppliers
4. Precursor and Product
precursor:
2094-72-6
2094-72-6
75-05-8
75-05-8
828-51-3
828-51-3
5. Computed Properties
  • Molecular Weight：213.7038g/mol
  • Molecular Formula：C11H16ClNO
  • Compound Is Canonicalized：True
  • Exact Mass：1.6
  • XLogP3-AA：213.0920418
  • Monoisotopic Mass：213.0920418
  • Complexity：288
  • Rotatable Bond Count：1
  • Hydrogen Bond Donor Count：1
  • Hydrogen Bond Acceptor Count：1
  • Topological Polar Surface Area：43.1
  • Heavy Atom Count：：14
  • Defined Atom Stereocenter Count：0
  • Undefined Atom Stereocenter Count：2
  • Defined Bond Stereocenter Count：0
  • Undefined Bond Stereocenter Count：0
  • Isotope Atom Count：0
  • Covalently-Bonded Unit Count：1
  • CACTVS Substructure Key Fingerprint：AAADceByIAAEAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAAAAAAAAHgIQAAAADwKBgAAAAABAAAAIAAEQEAAAAAAAAAAAAAEAAgAAABIBgAAAAAAAAAAAAAEYiMCPAAAAAAAAAAAAAARAAAAAAAAAAAAAAA==
6. Toltal 4 Suppliers View more
3-Chloroadamantane-1-carboxamide
Atomax Chemicals Co.,Ltd
  China
Tel: Update Time:2019/07/29
inquire
3-Chloroadamantane-1-carboxamide
Chongqing maohuan Chemicals Co., Ltd
China
Tel: Update Time:2019/02/25
inquire
3-Chloroadamantane-1-carboxamide
Chongqing Maohuan Chemical Co., Ltd.
China
Tel: Update Time:2019/04/01
inquire
tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 3-chloro-
International Laboratory Limited
USA
Tel: Update Time:2022/01/01
inquire
7. Realated Product Infomation
 
1. Names and Identifiers
2. Msds
3. Synthesis Route
4. Precursor and Product
5. Computational chemical data
6. Toltal 4 Suppliers
7. Realated Product Infomation
 
 
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