L-Leucinol

HCID 111307CAS 7533-40-6

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)C[C@H](N)CO
InChIKey: VPSSPAXIFBTOHY-LURJTMIESA-N
Molecular formula: C6H15NO
Average molar mass: 117.19 g/mol
Monoisotopic mass: 117.1153641

Names & identifiers

Preferred name: L-Leucinol
IUPAC: (2S)-2-amino-4-methylpentan-1-ol
English name: L(+)-Leucinol
Molecular formula: C6H15NO
Molecular weight: 117.19

Names & synonyms

L-Leucinol7533-40-6Leucinol(2S)-2-amino-4-methylpentan-1-ol(S)-2-Amino-4-methylpentan-1-olDTXSID001032725RefChem:407910DTXCID101517738231-400-5(S)-(+)-LeucinolH-LeucinolL-(+)-Leucinol

Show more names

2-AMINO-4-METHYL-1-PENTANOL(+)-LLeu-oleucinoLH-LEU-OLL-Leu-ol

(S)-leucinolL(+)-LeucinolMFCD00063676(2S)-2-amino-4-methyl-1-pentanol1-Pentanol, 2-amino-4-methyl-, (S)-(S)-(+)-2-Amino-4-methyl-1-pentanol(S)-2-Amino-4-methylpentanol2-Amino-4-methyl-pentan-1-ol

Database identifiers

CAS: 7533-40-6
PubChem CID: 111307
DTXSID: DTXSID001032725
ChEMBL: CHEMBL1232141
ChEBI: CHEBI:228882
EC Number: 231-400-5
Nikkaji: J1.161.886C

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 54

Physicochemical properties

Melting point: 56 · 56-58 °C
Boiling point: 208 · 208-210 °C(lit.)
alpha: 3 · 3 º (589nm, c=9, ethanol)
Density: 0.917 g/mL · 0.917 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4511(lit.)
Flash point: 195 °F · 195 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka: 12.88 · 12.88±0.10(Predicted)
form: Liquid
Specific Gravity: 0.917 · 0.917
color: Clear colorless to slightly yellow light
optical activity: 20 · [α]20/D +4°, c = 9 in ethanol
Sensitive: Air Sensitive
BRN: 1719240 · 1719240
Major Application: peptide synthesis
InChI: 1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1
InChIKey: VPSSPAXIFBTOHY-LURJTMIESA-N
SMILES: CC(C)C[C@H](N)CO
CAS DataBase Reference: 7533 · 7533-40-6(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1-Pentanol, 2-amino-4-methyl-, (S)-(7533-40-6)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 210 e-P280a-P403+P235-P501a-P261-P305+P351+P338 · P210e-P280a-P403+P235-P501a-P261-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-36/37/39-27
WGK Germany: 3 · 3
F: 2 · 2-10
HS Code: 29221990 · 29221990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3