CAS No.: 1214-39-7 — 6-Benzylaminopurine (6-苄氨基嘌呤)

1. Primary Information

English name:	6-Benzylaminopurine
CAS No.:	1214-39-7
Molecular formula:	C₁₂H₁₁N₅
Molecular weight:	225.25 g/mol
SMILES:	C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
Structural class:
Other identifiers:	1H-purin-6-amine, n-(phenylmethyl)- 6-(n-benzylamino)purine 6-BA cpd 6-benzyladenine 6-benzylaminopurin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Purchase	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	160	Buy now	2-8℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in methanol	152	Buy now	2-8℃	in stock	-
Kehua Intelligence	5mg	CP:≥98.32%;IE:≥99.73%atomD	2560	Buy now	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	152	Buy now	-20℃；避光	in stock	-
Kehua Intelligence	10ml	1mg/ml	96	Buy now	2-8℃,避光,6个月	in stock	-
Kehua Intelligence	5g	高纯，99%	16	Buy now	2-8℃	in stock	-
Kehua Intelligence	25g	高纯，99%	52	Buy now	2-8℃	in stock	-
Kehua Intelligence	100g	高纯，99%	160	Buy now	2-8℃	in stock	-
Kehua Intelligence	500g	高纯，99%	640	Buy now	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 30 0 0 0 0 0 0 0999 V2000 -0.2249 0.1390 -0.0262 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 -1.8323 -0.0053 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5119 1.7916 -0.0082 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2784 -1.2096 0.0157 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 1.1880 0.0141 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2851 1.1035 -0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1269 -0.4665 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1342 0.4935 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6402 0.4477 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -0.1037 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 0.1285 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2461 0.1718 1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4488 -2.2310 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -0.4789 -1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5017 -0.4357 1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8403 2.0551 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1386 -0.7612 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 1.7434 -0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1969 1.7743 0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 -0.8503 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3303 -2.4407 -0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7905 0.3421 -2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7578 0.4192 2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 -3.2752 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0157 -0.7328 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9832 -0.6560 2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 3.1063 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -1.2345 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 2 21 1 0 0 0 0 3 8 2 0 0 0 0 3 16 1 0 0 0 0 4 10 1 0 0 0 0 4 13 2 0 0 0 0 5 10 1 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 17 2 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-benzyl-7H-purin-6-amine

4.2 InChI

InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)

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)