AG00I1PX

18598-74-8 | L-Isoleucine, methyl ester, hydrochloride

AG00I1PX

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CAS Number	18598-74-8
Catalog Number	AG00I1PX(AGN-PC-0O5GX5)
Chemical Name	L-Isoleucine, methyl ester, hydrochloride
EC Number	242-437-1
IUPAC Name	methyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride
InChI	InChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t5-,6-;/m0./s1
InChI Key	GGTBEWGOPAFTTH-GEMLJDPKSA-N
MDL Number	MFCD00038911
Molecular Formula	C7H16ClNO2
Molecular Weight	181.6604
SMILES	N[C@@H]([C@@H](C)CC)C(OC)=O.[H]Cl
Synonyms	isoleucine methyl ester, isoleucine methyl ester hydrochloride, 18598-74-8, L-Isoleucine methyl ester hydrochloride, H-Ile-OMe.HCl, Methyl L-isoleucinate hydrochloride, Methyl L-isoleucinate HCl, H-Ile-Ome hydrochloride, (2S,3S)-Methyl 2-amino-3-methylpentanoate hydrochloride, MFCD00038911, L-Isoleucine, methyl ester, hydrochloride, methyl (2S,3S)-2-amino-3-methylpentanoate hydrochloride, L-Isoleucine Methyl Ester Hydrochloride;H-Ile-Ome.Hcl, L-ISOLEUCINE METHYL ESTER HCL, L-Isoleucinemethylesterhydrochloride, EINECS 242-437-1, H-lle-OMe?Cl, PubChem10894, H-Ile-OMe inverted exclamation mark currencyHCl, SCHEMBL76740, KSC491O1F, methyl isoleucinate hydrochloride, CHEMBL1222004, CTK3J1712, GGTBEWGOPAFTTH-GEMLJDPKSA-N, ACT07407, KS-000001YY, Isoleucine methyl ester hydrochloride, ANW-23256, l-isoleucine methylester hydrochloride, AKOS015844545, AKOS015894534, AM81854, CS-W017139, GS-3164, MCULE-7115424543, RTC-066794, L-iso-leucine methyl ester hydrochloride, (L)-isoleucine methyl ester hydrochloride, (s)-isoleucine methyl ester hydrochloride, AC-19219, BP-10402, BR-41506, SC-09632, 598l748, AB0005550, TC-066794, FT-0627879, I0522, ST24033269, EN300-53065, L-Isoleucine methyl ester hydrochloride, 97%, H-lle-OMe.HCl L-?Isoleucine methyl ester HCl, I-7910, M-2585, M03123, R109907, (2R,3S)-methyl 2-amino-3-methylpentanoate hydrochloride, L-Isoleucine methyl ester hydrochloride, >=98.0% (AT), methyl (2S,3S)-2-amino-3-methylpentanoate,hydrochloride, (2S,3S)-2-Amino-3-methyl-pentanoic acidmethyl ester hydrochloride, C7H16ClNO2, C7-H15-N-O2.Cl-H, ACN-033312, H-Ile-Ome.HCl, 99% - 1G 1g, CID11171351, A7211, DL-ISOLEUCINE METHYL ESTER HYDROCHLORIDE, H-lle-OMe inverted exclamation mark currencyHCl, Methyl (2S,3S)-2-amino-3-methyl-pentanoate Hydrochloride, 5619-06-7, Isoleucine methyl ester hydrochloride; Methyl L-isoleucinate hydrochloride; Methyl isoleucinate hydrochloride,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	181.087g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	181.66g/mol
Monoisotopic Mass	181.087g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number