AG0037MM

56782-52-6 | L-Isoleucine Ethyl Ester Hydrochloride

AG0037MM

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CAS Number	56782-52-6
Catalog Number	AG0037MM(AGN-PC-0OCFSJ)
Chemical Name	L-Isoleucine Ethyl Ester Hydrochloride
EC Number	260-382-1
IUPAC Name	ethyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride
InChI	InChI=1S/C8H17NO2.ClH/c1-4-6(3)7(9)8(10)11-5-2;/h6-7H,4-5,9H2,1-3H3;1H/t6-,7-;/m0./s1
InChI Key	QQGRWNMNWONMOO-LEUCUCNGSA-N
MDL Number	MFCD09953729
Molecular Formula	C8H18ClNO2
Molecular Weight	195.6870
SMILES	CCOC(=O)[C@H]([C@H](CC)C)N.Cl
Synonyms	L-isoleucine ethyl Ester hydrochloride, 56782-52-6, Ethyl L-isoleucinate hydrochloride, H-Ile-OEt.HCl, L-Isoleucine ethyl ester HCl, (2S,3S)-Ethyl 2-amino-3-methylpentanoate hydrochloride, MFCD09953729, Isoleucine, ethyl ester, hydrochloride, AK-43919, AC1O57BY, L-Isoleucine ethylester HCl, KSC497O6P, SCHEMBL2777941, CTK3J7767, KS-00000OLJ, QQGRWNMNWONMOO-LEUCUCNGSA-N, ACT08375, ANW-59194, L-Isoleucine ethylester hydrochloride, AKOS015933112, RL04145, AN-40037, DS-14330, SC-26104, L-isoleucine ethyl ester hydrochloride salt, AB0031117, AX8211499, DB-013555, DB-072192, RT-003994, FT-0646342, FT-0656669, ST24034131, X4051, Z1949, I14-2787, J-521264, ethyl (2S,3S)-2-amino-3-methylpentanoate hydrochloride, ethyl (2S,3S)-2-amino-3-methyl-pentanoate hydrochloride, Ethyl L-isoleucinate HCl, C8H18ClNO2, C8-H17-N-O2.Cl-H, L-Isoleucineethylesterhydrochloride, Isoleucine ethyl ester hydrochloride, EINECS 260-382-1, ACN-033315, CID6453390, Ethyl 2-amino-3-methylvalerate hydrochloride, 18598-74-8, 567-56-6, Ethyl 2-amino-3-methylvalerate hydrochloride; Ethyl L-isoleucinate hydrochloride; Isoleucine ethyl ester hydrochloride, N/A,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	195.103g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.687g/mol
Monoisotopic Mass	195.103g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.3A^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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