CAS No.: 7377-08-4 — - (对氨基苯甲酰-β-丙氨酸)

1. Primary Information

English name:	-
CAS No.:	7377-08-4
Molecular formula:	-
Molecular weight:	- g/mol
SMILES:	-
Structural class:
Other identifiers:	4-aminobenzoyl-alanine 4-aminobenzoyl-beta-alanine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥99%	160	RT	in stock	-
Kehua Intelligence	5g	98%	56	RT	in stock	-
Kehua Intelligence	25g	98%	176	RT	in stock	-
Kehua Intelligence	100g	98%	664	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 27 27 0 0 0 0 0 0 0999 V2000 -0.3996 2.3187 -0.3114 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8387 -1.3015 -1.6015 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4769 -1.7650 0.5916 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2223 0.4806 0.8396 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -1.2664 -0.1948 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 0.9642 0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4623 0.5515 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 0.5592 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 1.2093 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9277 0.8994 -0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4624 -0.3644 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -0.6488 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 0.2884 -1.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7128 -0.9754 0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5834 -0.9498 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9476 0.5577 1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5519 2.0562 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0528 0.9589 -1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4703 0.9561 -0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 -0.4622 1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 1.6229 -1.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 -0.6202 1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8372 0.5502 -1.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0107 -1.6987 1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1204 -1.9458 0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 -1.0297 -0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9216 -2.2735 -1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 15 1 0 0 0 0 2 27 1 0 0 0 0 3 15 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 20 1 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

3-[(4-aminobenzoyl)amino]propanoic acid

4.2 InChI

InChI=1S/C10H12N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14)

4.3 InChIKey

VHAXWROFYVPXMZ-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)O)N

4.5 Isomeric SMILES

4.6 SDF file

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5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

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5.2 ¹H nuclear magnetic resonance (¹H NMR)

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5.3 Mass spectrometry (MS)

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5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

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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)