2-Amino-5-methylhex-4-enoic Acid (>80%) - CAS 3558-31-4

Catalog:	BB075369
Product Name:	2-Amino-5-methylhex-4-enoic Acid (>80%)
CAS:	3558-31-4
Synonyms:	2-amino-5-methylhex-4-enoic acid; 2-amino-5-methyl-4-hexenoic acid; 2-amino-5-methylhex-4-enoicacid

Technical Data

IUPAC Name:	2-amino-5-methylhex-4-enoic acid
Description:	2-Amino-5-methylhex-4-enoic Acid can be used as regulators of cell division in plant tissues.
Molecular Weight:	143.18
Molecular Formula:	C7H13NO2
Canonical SMILES:	CC(=CCC(C(=O)O)N)C
InChI:	InChI=1S/C7H13NO2/c1-5(2)3-4-6(8)7(9)10/h3,6H,4,8H2,1-2H3,(H,9,10)
InChI Key:	XRARHOAIGIRUNR-UHFFFAOYSA-N
Melting Point:	>193°C (dec.)
Solubility:	Water (Slightly, Heated, Sonicated)
Appearance:	White to Pale Yellow Solid
Storage:	4°C, Inert atmosphere
References:	Letham, D.S, et.al. Phytochemistry (Elsevier), 10, 23-28, (1971).

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.094628657
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	143.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.4