AG003R8I

96386-92-4 | L-Beta-homoleucine, HCl

AG003R8I

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CAS Number	96386-92-4
Catalog Number	AG003R8I(AGN-PC-0OOD2R)
Chemical Name	L-Beta-homoleucine, HCl
IUPAC Name	(3S)-3-amino-5-methylhexanoic acid;hydrochloride
InChI	InChI=1S/C7H15NO2.ClH/c1-5(2)3-6(8)4-7(9)10;/h5-6H,3-4,8H2,1-2H3,(H,9,10);1H/t6-;/m0./s1
InChI Key	NXVYPYHWONGEFQ-RGMNGODLSA-N
MDL Number	MFCD01862871
Molecular Formula	C7H16ClNO2
Molecular Weight	181.6604
SMILES	CC(C)C[C@H](N)CC(O)=O.[H]Cl
Synonyms	96386-92-4, L-beta-Homoleucine hydrochloride, (S)-3-Amino-5-methylhexanoic acid hydrochloride, H-beta-HoLeu-OH.HCl, L-beta-homoleucine-HCl, L-beta-HLeu-OH.HCl, MFCD01862871, H--HoLeu-OH.HCl L--homoleucine.HCl, H-|A-HoLeu-OH.HCl, (3S)-3-amino-5-methylhexanoic acid hydrochloride, H-?-HoLeu-OH.HCl, Hexanoic acid, 3-amino-5-methyl-, hydrochloride, (3S)-, H-b-HoLeu-OH HCl, L-beta-Homoleucine HCl, (3S)-3-amino-5-methylhexanoic acid;hydrochloride, L-Beta-homoleucine, HCl, AC1MC55A, (3S)-3-amino-5-methyl-hexanoic Acid Hydrochloride, L-|A-Homoleucine hydrochloride, SCHEMBL10977886, CTK8B8528, KS-00000JSB, DTXSID10375812, ANW-60604, KM3418, AKOS015948778, BL722-1, CS-W008482, AC-22077, AK-89143, AN-34805, PS-12241, AB0049958, AX8023271, TR-030144, 3-amino-5-methyl-hexanoic acid hydrochloride, FT-0696186, L-beta-Homoleucine hydrochloride, >=98.0%, ST24036132, Z6013, 386H924, (3S)-3-amino-5-methyl-hexanoic acid;hydrochloride, (3S)-3-azanyl-5-methyl-hexanoic acid;hydrochloride, C7H15NO2.HCl, H-beta-HoLeu-OH.HCl - 1G 1g, CH-288, L-BETA-HOMOLEUCINEHYDROCHLORIDE, ACN-026019, CID2761524, A7565, (S)-3-Amino-5-methylhexanoicacidhydrochloride, Hexanoic acid, 3-amino-5-methyl-, hydrochloride (1:1), (3S)-,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
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	3
Isotope Atom Count	0
Molecular Weight	181.66g/mol
Monoisotopic Mass	181.087g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.3A^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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