D-Leucinol - CAS 53448-09-2

Catalog:	BB028222
Product Name:	D-Leucinol
CAS:	53448-09-2
Synonyms:	1-Pentanol, 2-amino-4-methyl-, (2R)-

Technical Data

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Computed Properties

IUPAC Name:	(2R)-2-amino-4-methylpentan-1-ol
Description:	The alcohol form of D-Leucine, a dietary amino acid involved in human protein synthesis.
Molecular Weight:	117.2
Molecular Formula:	C6H15NO
Canonical SMILES:	CC(C)CC(CO)N
InChI:	InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
InChI Key:	VPSSPAXIFBTOHY-ZCFIWIBFSA-N
Boiling Point:	195-199 °C
Flash Point:	90 °C
Purity:	≥ 99 % (Assay)
Density:	0.917 g/mL at 25 °C (lit.)
Appearance:	Transparent or slightly yellow liquid
Storage:	Store at 2-8 °C
MDL:	MFCD00004734
LogP:	1.05240
Refractive Index:	1.45

Publication Number	Title	Priority Date
WO-2021057256-A1	Heterocyclic nitrogen compound, pharmaceutical composition containing same, preparation method therefor and use thereof	20190929
WO-2021047583-A1	Tricyclic pyrazole derivative and preparation thereof	20190912
WO-2020206080-A1	Cystic fibrosis transmembrane conductance regulator modulating agents	20190403
EP-3597653-A1	Cyclic inhibitors of hepatitis b virus	20180719
WO-2020016434-A1	Cyclic inhibitors of hepatitis b virus	20180719

PMID	Publication Date	Title	Journal
19060912	20090101	Transport and signaling via the amino acid binding site of the yeast Gap1 amino acid transceptor	Nature chemical biology

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GHS Hazard Statement:	H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, P363, P405, and P501
Signal Word:	Danger

Complexity:	54.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	117.115364102
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	117.115364102
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4