CAS No.: 673-31-4 — Phenprobamate (苯丙氨酯)

1. Primary Information

English name:	Phenprobamate
CAS No.:	673-31-4
Molecular formula:	C₁₀H₁₃NO₂
Molecular weight:	179.22 g/mol
SMILES:	C1=CC=C(C=C1)CCCOC(=O)N
Structural class:
Other identifiers:	3-phenylpropylcarbamate Gamaquil phenprobamate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	HPLC≥98%	320	RT	in stock	-
Kehua Intelligence	250mg	97%	24	RT	in stock	-
Kehua Intelligence	1g	97%	32	RT	in stock	-
Kehua Intelligence	5g	97%	120	RT	in stock	-
Kehua Intelligence	25g	97%	400	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 26 26 0 0 0 0 0 0 0999 V2000 2.9312 -0.0598 0.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6578 0.1230 -0.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0633 -0.1157 1.2707 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 0.0543 -1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 -0.0351 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8749 0.0258 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9873 0.0438 -0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5305 -1.1923 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5071 1.2172 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8182 -1.2188 0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7948 1.1907 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4503 -0.0273 0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2505 -0.0059 0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3621 0.9730 -1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 -0.7699 -1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4779 -0.9688 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 0.7691 0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1437 -0.7765 -1.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 0.9995 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0481 -2.1275 -0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0064 2.1726 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3285 -2.1672 0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2867 2.1183 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4528 -0.0481 1.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.2209 2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -0.0951 1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 13 2 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-phenylpropyl carbamate

4.2 InChI

InChI=1S/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)

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)