4-Thiazolecarboxamide,2-[(2,3-dihydro-3,3,6-trimethyl-1H-inden-5-yl)oxy]-N-[4,6-dimethoxy-2-[(1-methyl-3-azetidinyl)amino]-5-pyrimidinyl]- structure

3D Mol Similar

4-Thiazolecarboxamide,2-[(2,3-dihydro-3,3,6-trimethyl-1H-inden-5-yl)oxy]-N-[4,6-dimethoxy-2-[(1-methyl-3-azetidinyl)amino]-5-pyrimidinyl]-

Iupac Name：1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride

CAS No.: 101827-46-7

Molecular Weight：353.934

Modify Date.: 2022-04-02 00:52

Request For Quotation

1. Names and Identifiers

1.1 Name: 4-Thiazolecarboxamide,2-[(2,3-dihydro-3,3,6-trimethyl-1H-inden-5-yl)oxy]-N-[4,6-dimethoxy-2-[(1-methyl-3-azetidinyl)amino]-5-pyrimidinyl]-

2. Properties

3.1 Melting point: 210-214℃

3.1 Refractive index: 1.598

3.1 Vapour pressure: 1.82E-07mmHg at 25°C

3.1 Precise Quality: 353.19100

3.1 PSA: 3.24000

3.1 logP: 6.57130

3. Safety and Handling

4.1 Symbol: GHS07;

4.1 Signal Word: Warning

4.1 Risk Statements: 21

4.1 Safety Statements: 44

4.1 Hazard Declaration: H312

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P280

4.1 WGK Germany: nwg

4.1 RTECS: QJ8585000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Dermal, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H312 Harmful in contact with skin
Precautionary statement(s)
Prevention	P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. Computational chemical data

Molecular Weight: 353.934g/mol
Molecular Formula: C_₁₉H_₂₀O_₅
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 353.1910276
Monoisotopic Mass: 353.1910276
Complexity: 374
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 3.2
Heavy Atom Count: 25
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: 2
CACTVS Substructure Key Fingerprint: AAADceB6AAAEAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAHAAAAAAADgDBGAQyAMMAAACAAiBCAACCAAAgAAAIiAAIBIgIICKAkRGEIAhggACIiAcQgMAPwAACAAAQAACAAAQAACAAAAAAAAAAAA==

7. Realated Product Infomation

918443-95-5 4-Thiazolecarboxamide,2-[(2,3-dihydro-3,3-dimethyl-1H-inden-5-yl)oxy]-N-[4,6-dimethoxy-2-[(1-methyl-3-azetidinyl)amino]-5-pyrimidinyl]-

918443-68-2 4-Thiazolecarboxamide,2-[(2,3-dihydro-3,3,6-trimethyl-1H-inden-5-yl)oxy]-N-[4,6-dimethoxy-2-[(2-pyrrolidinylmethyl)amino]-5-pyrimidinyl]-

918444-38-9 4-Thiazolecarboxamide,N-[2-[(2-aminoethyl)amino]-4,6-dimethoxy-5-pyrimidinyl]-2-[(2,3-dihydro-3,3,6-trimethyl-1H-inden-5-yl)oxy]-

918444-36-7 4-Thiazolecarboxamide,2-[(2,3-dihydro-3,3,6-trimethyl-1H-inden-5-yl)oxy]-N-[2-[(2-hydroxyethyl)amino]-4,6-dimethoxy-5-pyrimidinyl]-

918443-99-9 4-Thiazolecarboxamide,2-[(2,3-dihydro-3,3,6-trimethyl-1H-inden-5-yl)oxy]-N-[2-(dimethylamino)-4,6-dimethoxy-5-pyrimidinyl]-

918443-42-2 4-Thiazolecarboxamide,2-[(2,3-dihydro-3,3,6-trimethyl-1H-inden-5-yl)oxy]-N-[4,6-dimethoxy-2-[[2-(methylamino)ethyl]amino]-5-pyrimidinyl]-

918444-00-5 4-Oxazolecarboxamide,2-[(2,3-dihydro-3,3,6-trimethyl-1H-inden-5-yl)oxy]-N-[4,6-dimethoxy-2-[(1-methyl-3-azetidinyl)amino]-5-pyrimidinyl]-

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