AG004GPS

87392-13-0 | 4,5-Dehydro-leucine

AG004GPS

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CAS Number	87392-13-0
Catalog Number	AG004GPS(AGN-PC-0OKZQM)
Chemical Name	4,5-Dehydro-leucine
IUPAC Name	(2S)-2-amino-4-methylpent-4-enoic acid
InChI	InChI=1S/C6H11NO2/c1-4(2)3-5(7)6(8)9/h5H,1,3,7H2,2H3,(H,8,9)/t5-/m0/s1
InChI Key	PABWDKROPVYJBH-YFKPBYRVSA-N
MDL Number	MFCD00237695
Molecular Formula	C6H11NO2
Molecular Weight	129.1570
SMILES	C=C(C)C[C@H](N)C(O)=O
Synonyms	87392-13-0, H-4,5-Dehydro-Leu-OH, 4,5-DEHYDRO-LEUCINE, 4-Pentenoicacid, 2-amino-4-methyl-, (2S)-, (S)-2-amino-4-methylpent-4-enoic acid, (2S)-2-amino-4-methyl-4-pentenoic acid, (2S)-2-amino-4-methylpent-4-enoic acid, (S)-2-Methallylglycine, 4,5-Dehydro-L-leucine, 4,5-didehydro-l-leucine, AC1OCT14, SCHEMBL3617857, CTK3E6289, DTXSID60426469, PABWDKROPVYJBH-YFKPBYRVSA-N, ZINC2046241, 7037AH, KM2508, MFCD00237695, AKOS006275514, (S)-2-Amino-4-methyl-4-pentenoic acid, AS-49230, 4-Pentenoic acid, 2-amino-4-methyl-, (2S)-, C6H11NO2, NSC21947, CID7000158,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	129.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	129.159g/mol
Monoisotopic Mass	129.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number