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114747-45-4

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Basic Information
CAS No.: 114747-45-4
Name: Technocolor Purple 3
Article Data: 7
Molecular Structure:
Molecular Structure of 114747-45-4 (Technocolor Purple 3)
Formula: C27H29N3O
Molecular Weight: 411.547
Synonyms: 1,3,3-Trimethylindolino-6'-(1-piperidinyl)spironaphthoxazine;Technocolor Purple 3;
Density: 1.22 g/cm3;
Melting Point: 228-230 °C
Boiling Point: 637.2 °C at 760 mmHg
Flash Point: 339.2 °C
PSA: 28.07000
LogP: 5.61430
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Conditions
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4-Piperidin-1-yl-1-[(Z)-1,3,3-trimethyl-1,3-dihydro-indol-(2E)-ylidenemethylimino]-1H-naphthalen-2-one

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6'-piperidine-1,3,3-trimethylspiro(indoline-2,3'[3H]naphth[2,1-b][1,4]oxazine)

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Conditions
ConditionsYield
Multi-step reaction with 3 steps
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3: 30 percent / dioxane / Heating
View Scheme
Multi-step reaction with 2 steps
1: methanol / Heating
2: 30 percent / dioxane / Heating
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  • 1,3,3-Trimethyl-6'-(piperidin-1-yl)spiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]

  • Casno:

    114747-45-4

    1,3,3-Trimethyl-6'-(piperidin-1-yl)spiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    kodgyq8oAppearance:white powders Storage:Store at room temperature. Package:As per buyer requirement Application:Pharmaceuticals, Skincare, Medical Ingedients and others Transportation:By courier or By sea Port:As per buyer requirement

    Established in 2008, ENAO Chemical Co., Ltd is a professional supplier of fine chemicals and pharmaceutical raw materials in China, with factories and warehouses in GuangDong, Qing

  • ENAO Chemical Co, Limited

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    Business Type:Lab/Research institutions

    Tel:86--15307605669

    Address:Minle Industry Zone, Dongfeng Town, Zhongshan, Guangdong, China

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  • 1,3,3-Trimethylindolino-6'-(1-piperidinyl)spironaphthoxazine

  • Casno:

    114747-45-4

    1,3,3-Trimethylindolino-6'-(1-piperidinyl)spironaphthoxazine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    1,3,3-Trimethylindolino-6'-(1-piperidinyl)spironaphthoxazine Storage:keep in dry and cool condition Package:25kg or according to cutomer's demand Application:Chemical research/pharma intermediate Transportation:By Sea,by Air,By courier like DHL or Fe

    Nanjing Raymon Biotech Co., Ltd. is specialized in developing and marketing middle & high level pharmaceutical intermediates. We are supplying different categories of high-quality

  • Nanjing Raymon Biotech Co., Ltd.

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  • 6'-Piperidine-1,3,3-trimethylspiro(indoline-2,3'[3H]naphth[2,1-b][1,4]oxazine)

  • Casno:

    114747-45-4

    6'-Piperidine-1,3,3-trimethylspiro(indoline-2,3'[3H]naphth[2,1-b][1,4]oxazine)

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Jiangxi Shengwei Chemical Technology Co., Ltd.supplies scientific research products as below:1.High-purity organic chemical reagents;2.Analytical reagents; 3.Biochemical reagents;4.Chemical raw materials;5.Experimental instruments;6.Experimental cons

    Jiangxi Shengwei Chemical Technology Co., Ltd.supplies scientific research products as below: 1.High-purity organic chemical reagents; 2.Analytical reagents; 3.Biochemical reagent

  • Jiangxi shengwei chemical technology co. LTD

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    Business Type:Lab/Research institutions

    Tel:0796-8612228

    Address:XingHuo Road Yi Jia Village Industrial Park East Area Ji An County JiangXi Province

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  • 114747-45-4

  • Casno:

    114747-45-4

    114747-45-4

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Supply top quality products with a reasonable price Application:api

    Hebei Ruishun Trade Co.,Ltd registered capital one million, we have a production of pharmaceutical raw materials, pharmaceutical raw materials factory reagent r&d center, we do

  • Hebei Ruishun Trade Co.,Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-311-68037669

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Specification

The 1,3,3-Trimethylindolino-6'-(1-piperidinyl)spironaphthoxazine, with the CAS registry number 114747-45-4, is also known as 1,3-Dihydro-1,3,3-trimethyl-6'-(1-piperidinyl)spiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine] and Technocolor Purple 3. This chemical's molecular formula is C27H29N3O and molecular weight is 411.54. What's more, its IUPAC name is 1',3',3'-Trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole] and systematic name is called 1,3,3-Trimethyl-6'-piperidin-1-yl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]. Classification code of 1,3,3-Trimethylindolino-6'-(1-piperidinyl)spironaphthoxazine is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about this chemical are: (1) ACD/LogP: 5.16; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 4.16; (4) ACD/LogD (pH 7.4): 5.11; (5) ACD/BCF (pH 5.5): 493.97; (6) ACD/BCF (pH 7.4): 4380.96; (7) ACD/KOC (pH 5.5): 1537.83; (8) ACD/KOC (pH 7.4): 13638.95; (9) #H bond acceptors: 4; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 28.07 Å2; (13) Index of Refraction: 1.661; (14) Molar Refractivity: 124.55 cm3; (15) Molar Volume: 336.7 cm3; (16) Surface Tension: 47.1 dyne/cm; (17) Density: 1.22 g/cm3; (18) Flash Point: 339.2 °C; (19) Enthalpy of Vaporization: 94.13 kJ/mol; (20) Boiling Point: 637.2 °C at 760 mmHg; (21) Vapour Pressure: 3.89E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=C(C5=CC=CC=C54)N6CCCCC6)C)C
(2) InChI: InChI=1S/C27H29N3O/c1-26(2)21-13-7-8-14-22(21)29(3)27(26)18-28-25-20-12-
6-5-11-19(20)23(17-24(25)31-27)30-15-9-4-10-16-30/h5-8,11-14,17-18H,4,
9-10,15-16H2,1-3H3
(3) InChIKey: YAWJWXXKKHOMQT-UHFFFAOYSA-N