AG00I89M

42854-62-6 | L-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate

AG00I89M

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CAS Number	42854-62-6
Catalog Number	AG00I89M(AGN-PC-0RQWDZ)
Chemical Name	L-Alanine, phenylmethyl ester, 4-methylbenzenesulfonate
EC Number	255-969-4
IUPAC Name	benzyl (2S)-2-aminopropanoate;4-methylbenzenesulfonic acid
InChI	InChI=1S/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1
InChI Key	NWOPHJSSBMABBD-QRPNPIFTSA-N
MDL Number	MFCD00066143
Molecular Formula	C17H21NO5S
Molecular Weight	351.4173
SMILES	N[C@@H](C)C(OCC1=CC=CC=C1)=O.O=S(C2=CC=C(C)C=C2)(O)=O
Synonyms	42854-62-6, L-Alanine benzyl ester 4-toluenesulfonate, (S)-Benzyl 2-aminopropanoate 4-methylbenzenesulfonate, L-Alanine benzyl ester tosylate, H-Ala-obzl.tosoh, L-Alanine Benzyl Ester p-Toluenesulfonate, Ala-OBzl TosOH, MFCD00066143, H-D-ALA-OBZL P-TOSYLATE, L-Alanine benzyl ester p-toluenesulfonate salt, J-300010, Q-101558, L-Ala-Obel.TsOH, C17H21NO5S, Ala-OBzl?TosOH, H-Ala-OBzl TsOH, H-Ala-OBzl.Tos-OH, H-D-Ala-OBlz. Tos, AC1MCXJ2, Benzyl (2S)-2-aminopropanoate 4-toluenesulfonate, SCHEMBL716770, CTK1D5736, NWOPHJSSBMABBD-QRPNPIFTSA-N, ANW-29877, AKOS015840383, AKOS015895455, alanine benzyl ester p-toluenesulfonate, AM81489, CS-W011863, MCULE-8758045731, RTR-016695, ACM42584626, L-alanine benzylester p-toluene sulfonate, AC-14337, AS-48935, BR-41707, I488, AB0013718, AX8020804, L-Alninebenzylester-p-toluene sulfonate salt, ST2412624, TR-016695, FT-0627656, M-4073, 854A626, C-20658, W-60399, Benzyl L-alaninate 4-methylbenzenesulfonate (1:1), p-toluenesulfonic acid benzyl (2S)-2-aminopropanoate, benzyl (2S)-2-aminopropanoate; 4-methylbenzenesulfonic acid, L-Alanine benzyl ester p-toluenesulfonate salt, >=95.0% (T), 2-Amino-propionic acid benzyl ester; compound with toluene-4-sulfonic acid, H-ALA-OBZL P-TOSYLATE, EINECS 255-969-4, CA-320, L-Alaninebenzylester4-toluenesulfonate, ACN-032917, CB10964, CID2802424, CDS1_000191, O-Benzyl-L-alanine toluene-p-sulphonate, A2005, beta-Alanine Benzyl Ester p-Toluenesulfonate, C10-H13-N-O2.C7-H8-O3-S, D-Alanine benzyl ester p-toluenesulfonate salt, H-Ala-OBzl inverted exclamation mark currencyTOS, 41036-32-2, L-Alanine benzyl ester p-toluenesulfonate, 98% - 25G 25g, (S)-Alanine benzyl ester p-toluenesulfonate; (S)-Alanine benzyl ester tosylate, 35386-78-8,

Complexity	371
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
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	5
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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