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53448-09-2 molecular structure
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(2R)-2-amino-4-methylpentan-1-ol

ChemBase ID: 69443
Molecular Formular: C6H15NO
Molecular Mass: 117.1894
Monoisotopic Mass: 117.11536411
SMILES and InChIs

SMILES:
C([C@H](N)CC(C)C)O
Canonical SMILES:
OC[C@@H](CC(C)C)N
InChI:
InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
InChIKey:
VPSSPAXIFBTOHY-ZCFIWIBFSA-N

Cite this record

CBID:69443 http://www.chembase.cn/molecule-69443.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-4-methylpentan-1-ol
IUPAC Traditional name
(2R)-2-amino-4-methylpentan-1-ol
Synonyms
(R)-2-Amino-4-methylpentanol
H-D-Leu-ol
(2R)-2-Amino-4-methyl-1-pentanol
(2R)-4-Methylpentane-1-hydroxy-2-amine
(R)-(-)-2-Amino-4-methyl-1-pentanol
(R)-(-)-Leucinol
D-Leucinol
(R)-2-Amino-4-methyl-1-pentanol
D-Leucinol
(R)-(-)-Leucinol
D-(-)-LEUCINOL
L-Leucinol
(2S)-(+)-Leucinol
(2S)-2-Amino-4-methylpentan-1-ol
D-Leucinol
D-亮氨醇
(R)-2-氨基-4-甲基-1-戊醇
D-亮氨醇
(R)-(-)-亮氨醇
CAS Number
53448-09-2
7533-40-6
MDL Number
MFCD00004734
MFCD00063676
Beilstein Number
1719241
PubChem SID
24882182
24857984
162035169
PubChem CID
2724002

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.12735  H Acceptors
H Donor LogD (pH = 5.5) -2.6564274 
LogD (pH = 7.4) -1.9765102  Log P 0.3551243 
Molar Refractivity 34.3035 cm3 Polarizability 13.926987 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
198-200 °C/768 mmHg(lit.) expand Show data source
198-200°C/690mm expand Show data source
Flash Point
194 °F expand Show data source
90 °C expand Show data source
90°C(194°F) expand Show data source
Density
0.907 g/mL at 20 °C(lit.) expand Show data source
0.917 expand Show data source
0.917 g/mL at 25 °C(lit.) expand Show data source
0.92 g/ml expand Show data source
Refractive Index
1.4496 expand Show data source
n20/D 1.4496(lit.) expand Show data source
n20/D 1.450 expand Show data source
Optical Rotation
[α]20/D -4.0±0.5°, c = 9% in ethanol expand Show data source
[α]20/D -4°, c = 9 in ethanol expand Show data source
-3.2 (c=9 in ethanol) expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
Irritant/Keep Cold expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H227 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
≥98.0% (sum of enantiomers, GC) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Optical Purity
enantiomeric ratio: ≥99:1 (GC) expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
(CH3)2CHCH2CH(NH2)CH2OH expand Show data source
Empirical Formula (Hill Notation)
C6H15NO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02155194 external link
([R]-2-Amino-4-methyl-1-pentanol) 1 ml = approx. 0.92 g.
Sigma Aldrich - 298417 external link
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 61915 external link
Other Notes
N-Protection and transformation of OH group1,2,3; Selective O-derivatization4
Toronto Research Chemicals - L330120 external link
Potent antiproliferative agent, exhibits growth inhibition and induction in melanoma cells. Efficient organocatalysts for the cross-aldol reaction of isatin and its derivatives.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Landau, O., et al.: Cancer Lett., 69, 203 (1993)
  • • Malkov, A., et al.: Org. Lett., 9, 5473 (1993)
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PATENTS

PATENTS

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INTERNET

INTERNET

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