N-Acetyl-D-leucine

HCID 1241420CAS 19764-30-8

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Grundinformationen

Standard-SMILES: CC(=O)N[C@H](CC(C)C)C(=O)O
InChIKey: WXNXCEHXYPACJF-SSDOTTSWSA-N
Summenformel: C8H15NO3
Durchschnittliche Molmasse: 173,21 g/mol
Monoisotopische Masse: 173,10519334

Namen und Bezeichner

Bevorzugter Name: N-Acetyl-D-leucine
IUPAC: (2R)-2-acetamido-4-methylpentanoic acid
Englischer Name: N-Acetyl-D-leucine
Summenformel: C8H15NO3
Molmasse: 173.21

Namen und Synonyme

N-Acetyl-D-leucine19764-30-8Ac-D-Leu-OHAcetylleucine, D-Leucine, N-acetyl-, D-(R)-acetylleucineN-acetyl-D-LeuD-acetylleucineUNII-91WU82GA22DS-1211CHEBI:146296DTXSID50361310

Weitere Namen anzeigen

N-Ac-D-Leu-OHN-Ac-D-LeucineAC-D-LeuAC-D-LEUCINEAce-D-Leu-OH

RefChem:162595DTXCID20312359D-leucine, N-acetyl-N-Acetyl-R-leucine(2R)-2-acetamido-4-methylpentanoic acidacetyl-d-leucine(R)-2-acetamido-4-methylpentanoic acidAcetylleucine, (R)-

Datenbank-Bezeichner

CAS: 19764-30-8
PubChem CID: 1241420
DTXSID: DTXSID50361310
ChEMBL: CHEMBL174357
ChEBI: CHEBI:146296
UNII: 91WU82GA22
EC Number: 896-508-2
Nikkaji: J21.921E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 66,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 177

Physikochemische Eigenschaften

Schmelzpunkt: 176 · 176-177C
Siedepunkt: 369.7 · 369.7±25.0 °C(Predicted)
Dichte: 1.069 · 1.069±0.06 g/cm3(Predicted)
Brechungsindex: 23 ° · 23 ° (C=4, EtOH)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
Löslichkeit: DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.67 · 3.67±0.10(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m1/s1
InChIKey: WXNXCEHXYPACJF-SSDOTTSWSA-N
SMILES: C(O)(=O)[C@@H](CC(C)C)NC(C)=O
CAS Datenbank: 19764 · 19764-30-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；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

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)