CAS No.: 2365-40-4 — N-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine (N6-异戊烯基腺嘌呤)

1. Primary Information

English name:	N-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine
CAS No.:	2365-40-4
Molecular formula:	C₁₀H₁₃N₅
Molecular weight:	203.24 g/mol
SMILES:	CC(=CCNC1=NC=NC2=C1NC=N2)C
Structural class:
Other identifiers:	6-(3-methyl-2-butenylamino)purine dimethylallyladenine i6Ade IPADE isopentenyladenine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	187	-20℃	in stock	-
Kehua Intelligence	100mg	植物细胞培养级，98%	96	-20℃	in stock	-
Kehua Intelligence	1g	植物细胞培养级，98%	480	-20℃	in stock	-
Kehua Intelligence	5g	植物细胞培养级，98%	1920	-20℃	in stock	-
Kehua Intelligence	25g	植物细胞培养级，98%	6720	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 29 0 0 0 0 0 0 0999 V2000 -0.8325 -0.0954 0.4413 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5746 1.8069 0.1987 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8186 -1.7892 0.0493 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6628 1.1290 -0.1868 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1739 -1.2503 -0.2877 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5114 0.4457 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 -0.4802 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9326 -1.0200 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8199 0.0483 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1915 -0.2453 0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0368 0.2580 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 2.1694 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2889 1.0296 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 0.0809 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1193 -2.0873 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0087 -1.6517 -0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -1.6978 1.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0116 0.8977 0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4339 -0.0800 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8006 2.4350 0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1976 3.2029 0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1619 0.5248 -0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4497 1.1231 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2287 2.0395 -0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8362 1.0472 -2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7666 -0.3099 -1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.5956 -2.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 -3.1423 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 7 2 0 0 0 0 3 15 1 0 0 0 0 4 9 1 0 0 0 0 4 12 2 0 0 0 0 5 9 1 0 0 0 0 5 15 2 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-(3-methylbut-2-enyl)-7H-purin-6-amine

4.2 InChI

InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)