D-Valinol (HCID 6950587)

Namen und Bezeichner

Bevorzugter Name: D-Valinol
IUPAC: (2R)-2-amino-3-methylbutan-1-ol
Englischer Name: (R)-(-)-2-Amino-3-methyl-1-butanol
Summenformel: C5H13NO
Molmasse: 103.16

Namen und Synonyme

D-Valinol4276-09-9DTXSID804262041-Butanol, 2-amino-3-methyl-, (2R)-RefChem:585126DTXCID10377038628-067-7922-908-4(2R)-2-amino-3-methylbutan-1-ol(R)-(-)-2-Amino-3-methyl-1-butanol(R)-2-Amino-3-methylbutan-1-ol(R)-2-Amino-3-methyl-1-butanol

Weitere Namen anzeigen

2-AMINO-3-METHYLBUTAN-1-OLD-Val-olD-VALINALR-VALINOLH-D-VAL-OL(-)-D-VALINOLD-(-)-VALINOLD-Valinol, 97%D-Valinol,99%e.e.

MFCD00064297(R)-valinol(2R)-2-amino-3-methyl-1-butanol1-Butanol, 2-amino-3-methyl-, (R)-(R)-2-Amino-3-methyl-butan-1-olD-2-Amino-3-methyl-1-butanolValinol, D-(-)-Valinol

Datenbank-Bezeichner

CAS: 4276-09-9
PubChem CID: 6950587
DTXSID: DTXSID80426204
UNII: 829QNS6ERZ
EC Number: 628-067-7、922-908-4
Nikkaji: J63.546D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 45

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-36 °C(lit.)
Siedepunkt: 189 · 189-190 °C(lit.)
Dichte: 0.931 g/mL · 0.931 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.455
Flammpunkt: 194 °F · 194 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Low Melting Crystals or Crystalline Mass
pka: 12.82 · 12.82±0.10(Predicted)
Farbe: White to light yellow
BRN: 1719138 · 1719138
InChI: 1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m0/s1
InChIKey: NWYYWIJOWOLJNR-YFKPBYRVSA-N
SMILES: CC(C)[C@@H](N)CO
CAS Datenbank: 4276 · 4276-09-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information1-Butanol, 2-amino-3-methyl-, (2R)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (20%)；Skin Corr. 1B (20%)；Eye Dam. 1 (20%)

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (95.2%)

Regulatorische Informationen

Regulatory Information1-Butanol, 2-amino-3-methyl-, (2R)-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 10-34
wgk: 3
hs_code: 29051990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37-36-36/37/38
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenD-Valinol is used as a reagent in the synthesis of the HIV type 1 integrase inhibitor Elvitegravir (E509000). D-Valinol is also used in the preparation of novel 2-(alkylmorpholin-4-yl)-6-(3-fluoropyridin-4-yl)-pyrimidin-4(3H)-ones as orally active GSK-3β inhibitors for Alzheimer''s disease.