1-Methyl-1,7-diazaspiro[4.4]nonane structure

3D Mol Similar

1-Methyl-1,7-diazaspiro[4.4]nonane

: Iupac Name：1-methyl-1,7-diazaspiro[4.4]nonane; CAS No.: 1158749-77-9; Molecular Weight：140.23; Modify Date.: 2022-11-25 09:22

Request For Quotation

1. Names and Identifiers

: 1.1 Name; 1-Methyl-1,7-diazaspiro[4.4]nonane; 1.2 Synonyms; 1,7-Diazaspiro[4.4]nonane, 1-Methyl- 1-methyl-1,7-diazaspiro[4.4]nonane dihydrochloride

1.3 CAS No.: 1158749-77-9

1.4 CID: 52988115

1.5 Molecular Formula: C8H16N2 (isomer)

1.6 Inchi: InChI=1S/C8H16N2/c1-10-6-2-3-8(10)4-5-9-7-8/h9H,2-7H2,1H3

1.7 InChIkey: ADMXMXNXEITSAX-UHFFFAOYSA-N

1.8 Canonical Smiles: CN1CCCC12CCNC2

1.9 Isomers Smiles: CN1CCCC12CCNC2

2. Properties

2.1 Density: 1.01

2.1 Boiling point: 179 °C

2.1 Flash Point: 60 °C

2.1 PSA: 15.27000

2.1 logP: 0.71080

3. Synthesis Route

1158749-77-9Total: 1 Synthesis Route

1192688-70-2

1158749-77-9 10 Suppliers

Literatures:
GLAXO GROUP LIMITED Patent: WO2009/130231 A1, 2009 ; Location in patent: Page/Page column 101; 102 ; WO 2009/130231 A1
Yield: null

4. Precursor and Product

precursor:

1192688-70-2

5. Computational chemical data

Molecular Weight: 140.23g/mol
Molecular Formula: C₈H₁₆N₂
Compound Is Canonicalized: True
XLogP3-AA: 0.3
Exact Mass: 140.131348519
Monoisotopic Mass: 140.131348519
Complexity: 135
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 15.3
Heavy Atom Count: 10
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceBzAAAAAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAAAAAAAAAAHAAQAAAADIjBAAQCAAPAAAAAAAAAAAAAAAAAAAAAAIAIAAAAQAIAwAAUAAAAEACAAAEQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Recommended Suppliers

Global10SuppliersView all >>

Hangzhou J&H Chemical Co., Ltd Audited Suppliers

Products:3,5-Dibromoanisole,5-Fluoro-2-nitroanisole,Doxorubicin hydrochloride,Diethyl 4-oxoheptanedioate,1,5-Diphenylpenta-1,4-dien-3-one,3,5-Dimethoxy-4-hydroxycinnamic acid
Tel:86-571-87396430

1-Methyl-1,7-diazaspiro[4.4]nonane

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2017/12/14

Inquire

U-Chemo Holding Co.,Limited Audited Suppliers

Products:Custom Synthesis Contract Research pharmaceutical pesticide standard cosmetic intermediate dye pheromone metabolite Hormone R&D FTE
Tel:0086-21-61558312

1-Methyl-1,7-diazaspiro[4.4]nonane