D-Histidinhydrochloridmonohydrat

D-Histidine

HCID 178511802

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Grundinformationen

CAS: 351-50-8
Standard-SMILES: N[C@H](Cc1c[nH]cn1)C(=O)O
InChIKey: HNDVDQJCIGZPNO-RXMQYKEDSA-N
Summenformel: C6H9N3O2
Durchschnittliche Molmasse: 155,15 g/mol
Monoisotopische Masse: 155,06947654

Namen und Bezeichner

Bevorzugter Name: D-Histidine
IUPAC: (2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
Lokaler Name: D-Histidinhydrochloridmonohydrat
Englischer Name: D-Histidine
Summenformel: C6H9N3O2
Molmasse: 155.15

Namen und Synonyme

D-Histidine351-50-8(R)-2-Amino-3-(1H-imidazol-4-yl)propanoic acidD-Histidin(2R)-2-amino-3-(1H-imidazol-4-yl)propanoic acid(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acidD-Histamine4JE5HRM5CH(r)-histidineCHEBI:27947HISTIDINE, D-EINECS 206-513-8

Weitere Namen anzeigen

D-HISD-HIS-OHD-Histdine99.0%(T&HISTIDINE, D-D-Histidine>D-Histidine,99%D-Histidine ,98%

DTXSID70889344(R)-alpha-Amino-1H-imidazole-4-propionic acidRefChem:583868DTXCID101028606(2R)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoate(2R)-2-amino-3-(1H-imidazol-4-yl)propanoic acid;D-histidineH-D-His-OHMFCD00065963

Datenbank-Bezeichner

CAS: 351-50-8
PubChem CID: 71083

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,2
Polarare Oberfläche (TPSA): 92 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 280 °C · 280 °C
Siedepunkt: 278.95 °C · 278.95°C (rough estimate)
Dichte: 1.3092 · 1.3092 (rough estimate)
Brechungsindex: -13 ° · -13 ° (C=11, 6mol/L HCl)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: 1 M · 1 M HCl: soluble
Aggregatzustand: Free-Flowing Powder
pka: 1.91 · 1.91±0.10(Predicted)
Farbe: White
Wasserlöslichkeit: 42 g/L · 42 g/L (25 ºC)
Merck: 14 · 14,4720
BRN: 84089 · 84089
Stabilität: Hygroscopic
Major Application: detectionpeptide synthesis
InChI: 1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKey: HNDVDQJCIGZPNO-RXMQYKEDSA-N
SMILES: N[C@H](Cc1c[nH]cn1)C(O)=O
LogP: -1.27 · -1.270
CAS Datenbank: 351 · 351-50-8(CAS DataBase Reference)
EPA chemische Informationen: D-Histidine (351-50-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 5 reports by companies.；There is 1 notification provided by 1 of 5 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 CategoriesSkin Irrit. 2 (20%)；Eye Irrit. 2A (20%)；STOT SE 3 (20%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29332900
hazard_code: Xn
safety_code: 22-24/25-36/37-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationD-Histidine: INACTIVE

Anwendungen

VerwendenD-Histidine is the unnatural, biologically inactive isomer of L-Histidine (H456010). D-histidine is known to inhibit cell division, and is also used by certain types of bacteria (such as Escherichia coli) as a source of L-Histidine.