CAS No.: 959162-99-3 — (6-Chloro-4-(ethylamino)pyridin-3-yl)methanol (6-氯-4-(乙基氨基)-3-吡啶甲醇)

1. Primary Information

English name:	(6-Chloro-4-(ethylamino)pyridin-3-yl)methanol
CAS No.:	959162-99-3
Molecular formula:	C₈H₁₁ClN₂O
Molecular weight:	186.64 g/mol
SMILES:	CCNC1=CC(=NC=C1CO)Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	97%	560	2-8℃	in stock	-
Kehua Intelligence	500mg	97%	1680	2-8℃	in stock	-
Kehua Intelligence	1g	97%	2560	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 23 0 0 0 0 0 0 0999 V2000 3.1807 -2.0383 -0.2628 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3779 2.6421 -0.8246 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -0.4104 0.1186 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 0.4292 0.0689 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2834 -0.1176 0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1696 1.1892 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1772 -1.7368 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7644 2.3368 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6326 -1.1513 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 1.4076 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6916 -1.7225 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -0.8281 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3144 0.3639 0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8847 -2.1623 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7983 -2.3895 0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 2.1189 1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2313 3.2308 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 -2.1873 -0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9558 2.4041 0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0319 -1.3223 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1219 -1.1003 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0899 -2.7362 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9783 3.3914 -0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 4 10 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[6-chloro-4-(ethylamino)pyridin-3-yl]methanol

4.2 InChI

InChI=1S/C8H11ClN2O/c1-2-10-7-3-8(9)11-4-6(7)5-12/h3-4,12H,2,5H2,1H3,(H,10,11)

4.3 InChIKey

MPXJZSOEDMDXJO-UHFFFAOYSA-N

4.4 Canonical SMILES

CCNC1=CC(=NC=C1CO)Cl

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)