Mandelamide
Grundinformationen
- CAS
4410-31-5- Standard-SMILES
NC(=O)C(O)c1ccccc1- InChIKey
MAGPZHKLEZXLNU-UHFFFAOYSA-N- Summenformel
- C8H9NO2
- Durchschnittliche Molmasse
- 151,16 g/mol
- Monoisotopische Masse
- 151,06332853
Überblick
Mandelamide is a monocarboxylic acid amide that is phenylacetamide in which one of the benzylic hydrogens has been replaced by a hydroxy group. It is a member of benzyl alcohols, a monocarboxylic acid amide and a secondary alcohol. It is functionally related to a phenylacetic acid.
Namen und Bezeichner
- Bevorzugter Name
- Mandelamide
- IUPAC
- 2-hydroxy-2-phenylacetamide
- Englischer Name
- DL-MANDELAMIDE
- Summenformel
- C8H9NO2
- Molmasse
- 151.16
Namen und Synonyme
2-Hydroxy-2-phenylacetamide4410-31-5MandelamideI5M132OPVNNSC-16603Benzeneacetamide, alpha-hydroxy-CHEBI:136824DTXSID901318287RefChem:155561MANDELAMIDE, (A+-)-DTXCID80893679dl-Mandelamide
Weitere Namen anzeigen
Mandelamide 97%Compound PDK0222DL-MANDELAMIDE 98%(+/-)-Mandelamide, 97%α-Hydroxybenzeneacetamidea-Hydroxy-benzeneacetamide2-Phenyl-2-hydroxyacetamide
(+/-)-mandelamide4358-86-5MFCD000254952-hydroxy-2-phenyl-acetamideBenzeneacetamide, .alpha.-hydroxy-AMYGDALINAMIDE(2S)-2-Hydroxy-2-phenyl-acetamidemandelic acid amide
Datenbank-Bezeichner
- CAS
4410-31-5- PubChem CID
- 73558
- DTXSID
DTXSID901318287- ChEBI
CHEBI:136824- UNII
- I5M132OPVN
- EC Number
- 626-245-9
- Nikkaji
- J428.894G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 141
Physikochemische Eigenschaften
- Schmelzpunkt
- 133 · 133-137 °C(lit.)
- Siedepunkt
- 345.5 · 345.5±35.0 °C(Predicted)
- Dichte
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- solid
- pka
- 12.46 · 12.46±0.20(Predicted)
- BRN
- 2208677 · 2208677
- InChI
- InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)
- InChIKey
- MAGPZHKLEZXLNU-UHFFFAOYSA-N
- SMILES
- C1(C(O)C(N)=O)=CC=CC=C1
- CAS Datenbank
- 4410 · 4410-31-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 22-36/37/38-36
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
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