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AG003SP1

39145-52-3 | Ac-His-OH.H2O

AG003SP1

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CAS Number	39145-52-3
Catalog Number	AG003SP1(AGN-PC-0O9S6R)
Chemical Name	Ac-His-OH.H2O
IUPAC Name	(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoic acid;hydrate
InChI	InChI=1S/C8H11N3O3.H2O/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6;/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14);1H2/t7-;/m0./s1
InChI Key	PSWSDQRXCOJSFC-FJXQXJEOSA-N
MDL Number	MFCD00005206
Molecular Formula	C8H13N3O4
Molecular Weight	215.2065
SMILES	O=C(O)[C@@H](NC(C)=O)CC1=CNC=N1.[H]O[H]
UNII	PQ2TC3X11O
Synonyms	39145-52-3, ac-his-oh.h2o, N-Acetyl-L-histidine hydrate, UNII-PQ2TC3X11O, N-Acetyl-L-histidine Monohydrate, Ac-His-OH H2O, (S)-2-Acetamido-3-(1H-imidazol-4-yl)propanoic acid hydrate, PQ2TC3X11O, Acetyl histidine, (2S)-2-(Acetylamino)-3-(1H-imidazol-4-yl)propanoic acid hydrate, L-N-acetylhistidine monohydrate, N-Acetyl-L-histidine Monohydrate, L-Histidine, N-acetyl-, monohydrate, acetylhistidine monohydrate, AC1MC4T8, N-Acetyl-L-histidineMonohydrate, SCHEMBL6933673, SCHEMBL8680774, CTK3J1731, ANW-29024, MFCD00149320, N-\|A-Acetyl-L-histidine monohydrate, AKOS024464820, AM81803, RTR-015703, KS-000012C2, AK163665, AS-49156, AX8033510, A7197, FT-0629836, ST24035913, ST50307096, EN300-198771, (2S)-2-(acetylamino)-3-imidazol-4-ylpropanoic acid, hydrate, (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoic acid hydrate, Ac-His-OH.HCl, N-alpha-Acetyl-L-histidine monohydrate, ACN-033263, CID2724380, Ac-His-OH inverted exclamation mark currencyH2O, N-Acetyl-L-histidine monohydrate, 99% - 25G 25g, (2S)-2-acetamido-3-(3H-imidazol-4-yl)propanoic Acid Hydrate,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	215.091g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	215.209g/mol
Monoisotopic Mass	215.091g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	96.1A^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
Signal Words	warning
UN Code

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CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
Chemical Structure:	CAS Registry No:
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Analysis Data:

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Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited