AG003VG7

27019-47-2 | H-β-Ala-Obzl.TosOH

AG003VG7

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CAS Number	27019-47-2
Catalog Number	AG003VG7(AGN-PC-0R2VTF)
Chemical Name	H-β-Ala-Obzl.TosOH
IUPAC Name	benzyl 3-aminopropanoate;4-methylbenzenesulfonic acid
InChI	InChI=1S/C10H13NO2.C7H8O3S/c11-7-6-10(12)13-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-8,11H2;2-5H,1H3,(H,8,9,10)
InChI Key	FRHWYVGCFUQMJR-UHFFFAOYSA-N
MDL Number	MFCD00039061
Molecular Formula	C17H21NO5S
Molecular Weight	351.4173
SMILES	NCCC(OCC1=CC=CC=C1)=O.O=S(C2=CC=C(C)C=C2)(O)=O
Synonyms	27019-47-2, beta-Alanine benzyl ester p-toluenesulfonate salt, beta-Alanine Benzyl Ester p-Toluenesulfonate, H-|A-Ala-Obzl.TosOH, H-beta-Ala-Obzl.TosOH, H-beta-Ala-Obzl Tos, Benzyl 3-aminopropanoate 4-methylbenzenesulfonate, H--Ala-OBzl p-tosylate, MFCD00039061, AK-81294, betaAla-OBzl.TosOH, PubChem12070, ACMC-209gum, SCHEMBL717926, CTK3J5341, DTXSID90542368, beta alanine benzyl ester tosylate, beta-alanine benzyl ester tosylate, FRHWYVGCFUQMJR-UHFFFAOYSA-N, KS-000000HG, ANW-26108, CA-316, AKOS015842545, CS-W009807, RL02915, RTC-066647, TRA0040792, VA50519, AS-12229, B-alanine benzyl ester P-*toluenesulfonate, AX8016743, TC-066647, beta-alanine benzyl ester p-toluenesulphonate, FT-0638660, ST24030742, benzyl 3-aminopropanoate para-toluene sulfonate, K-6922, beta-Alanine benzyl ester p-toluenesulfnate salt, I(2)-Alanine benzyl ester p-toluenesulfnate salt, A818842, beta-ALANINE BENZYL ESTER-p-TOLUENESULFONATE, C-20656, benzyl 3-aminopropionate p-toluenesulfonic acid salt, I01-0205, J-519842, benzyl 3-aminopropanoate,4-methylbenzenesulfonic acid, beta-alanine-benzyl ester-p-toluenesulfonic acid salt, F2191-0289, 3-amino-propionic acid benzyl ester toluene-4-sulfonic acid, 4-Methylbenzene-1-sulfonic acid--benzyl beta-alaninate (1/1), 4-methylbenzenesulfonic acid; (phenylmethyl) 3-azanylpropanoate, 3-aminopropanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid, C17H21NO5S, H-beta-Alanine benzyl ester tosylate, ACN-033747, beta-Alaninebenzylesterp-toluenesulfonatesalt, A1423, ?-Alanine benzyl ester p-toluenesulfnate salt, 4-methylbenzenesulphonic acid benzyl beta-alaninate, H-beta-Ala-OBzl inverted exclamation mark currency p-tosylate,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	351.114g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	351.417g/mol
Monoisotopic Mass	351.114g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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