L-Valinol - CAS 2026-48-4

Catalog:	BB015741
Product Name:	L-Valinol
CAS:	2026-48-4
Synonyms:	L-2-Amino-3-methyl-1-butanol; (+)-(S)-Valinol; (+)-2-Amino-3-methyl-1-butanol; (+)-Valinol; (2S)-1-Hydroxy-3-methylbutan-2-amine; (2S)-2-Amino-3-methyl-1-butanol; (2S)-Valinol; (S)-(+)-2-Amino-3-methyl-1-butanol; (S)-(+)-Valinol; (S)-2-Amino-3-methyl-1-butanol; (S)-2-Amino-3-methylbutanol; (S)-Valinol; NSC 322922; [(S)-1-(Hydroxymethyl)-2-methylpropyl]amine

Technical Data

Related CAS:	4276-09-9 (D-configuration)
IUPAC Name:	(2S)-2-amino-3-methylbutan-1-ol
Description:	L-valinol is used as a reagent for the synthesis of simple 1,3-thiazolidine-2-thione derivatives with fungicidal activity. L-Valinol is also used in clinical trials to synthesize small molecule inhibitors of MDM2-p53 protein-protein interaction (MDM2 inhibitors) for the treatment of cancer.
Molecular Weight:	103.16
Molecular Formula:	C5H13NO
Canonical SMILES:	CC(C)C(CO)N
InChI:	InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
InChI Key:	NWYYWIJOWOLJNR-RXMQYKEDSA-N
Boiling Point:	81 ℃ at 8 mmHg
Melting Point:	30-34 ℃
Flash Point:	78ºC
Purity:	≥ 98 %
Density:	0.926 g/mL at 25 ℃
Solubility:	Slightly soluble in DMSO, Methanol
Appearance:	White low-melting solid
Storage:	Store at 2-8 ℃
MDL:	MFCD00064296
LogP:	0.66230
Refractive Index:	1.4538-1.4558
Stability:	Stable under normal temperatures and pressures. Absorbs carbon dioxide from the air.
Vapor Pressure:	0.182mmHg at 25°C

GHS Hazard Statement:	H315 (16.67%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
KR-102301101-B1	Cosmetic composition comprising natural oils and natural extracts	20210405
CN-112898585-A	Chiral metal-organic framework material and application thereof in chiral chromatographic column	20210122
CN-112625039-A	Pyrroloquinoline compound and synthesis method thereof	20210116
CN-112661698-A	Preparation method of elvitegravir	20210114
CN-112480126-A	Preparation and application of 5-alkyl quinazoline derivative	20201211

PMID	Publication Date	Title	Journal
22819594	20120901	Synthesis of new chiral xanthone derivatives acting as nerve conduction blockers in the rat sciatic nerve	European journal of medicinal chemistry
21416080	20110514	Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2	Dalton transactions (Cambridge, England : 2003)
21077217	20101201	β-Amino alcohol selectors for enantioselective separation of amino acids by ligand-exchange capillary zone electrophoresis in a low molecular weight organogel	Electrophoresis
20717555	20101014	Synthesis of chiral β-aminoalcohol palladium complexes exhibiting cytotoxic properties	Dalton transactions (Cambridge, England : 2003)
20623583	20100801	Absolute configurations and CD spectra of axially chiral biphenyls prepared in a facile manner by crystallization-induced configuration transformation	Chirality

Complexity:	45.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	103.099714038
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	103.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0