Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-amine structure

3D Mol Similar

Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-amine

: Iupac Name：tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-amine; CAS No.: 10122-95-9; Molecular Weight：223.31288; Modify Date.: 2023-04-04 23:01

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1. Names and Identifiers

: 1.1 Name; Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-amine; 1.2 Synonyms; Tricyclo(8.2.2.24,7)hexadeca-4,6,10,12,13,15-hexaen-5-amine Tricyclo[8.2.2.2 tricyclo[8.2.2.2?,?]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-amine Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-ylamine

1.3 CAS No.: 10122-95-9

1.4 CID: 139095

1.5 Molecular Formula: C16H17N (isomer)

1.6 Inchi: InChI=1S/C16H17N/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,17H2

1.7 InChIkey: BPBOJZFNHXUUNG-UHFFFAOYSA-N

1.8 Canonical Smiles: C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)N

1.9 Isomers Smiles: C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)N

2. Properties

2.1 Density: 1.095

2.1 Boiling point: 379.4°Cat760mmHg

2.1 Refractive index: 1.622

2.1 Flash Point: 195.1°C

2.1 Precise Quality: 223.13600

2.1 PSA: 26.02000

2.1 logP: 3.73380

3. 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

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4. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

5. Computational chemical data

Molecular Weight: 223.31288g/mol
Molecular Formula: C₁₆H₁₇N
Compound Is Canonicalized: True
XLogP3-AA: 3.8
Exact Mass: 223.136099547
Monoisotopic Mass: 223.136099547
Complexity: 242
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 26
Heavy Atom Count: 17
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB6AAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHAAQAAAADAiBGAAwwIBAAACAAiRCQACCAAAgAgAIiAAAZIgIICKAkZGAIABgkAAIyAcQgMAOQAAAQAACAACAAACAAAQAAAAAAAAAAA==

6. Recommended Suppliers

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Honest Joy Holdings Limited

Tel:+86-(755)-26404303

Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaen-5-amine

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2010/12/18

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7. Realated Product Infomation

53922-63-7 Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,6,11,12-t

53922-62-6 Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,6,11,12-t

66086-24-6 Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,6,11,12-t

364796-54-3 Phosphine, tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[bis(4-methoxyphenyl)-, stereoisomer (9CI)

3345-29-7 2,2,3,3,8,8,9,9-Octafluorotricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene

65304-59-8 5,6,15,16-Tetramethyltricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene

30501-29-2 tetrachlorotricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene, mixed isomers

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