5-Methylnicotinamide

HCID 65560

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Grundinformationen

CAS: 70-57-5
Standard-SMILES: Cc1cncc(C(N)=O)c1
InChIKey: BCCUXBGEPLKSEX-UHFFFAOYSA-N
Summenformel: C7H8N2O
Durchschnittliche Molmasse: 136,15 g/mol
Monoisotopische Masse: 136,06366288

Namen und Bezeichner

Bevorzugter Name: 5-Methylnicotinamide
IUPAC: 5-methylpyridine-3-carboxamide
Englischer Name: 5-METHYLNICOTINAMIDE
Summenformel: C7H8N2O
Molmasse: 136.15

Namen und Synonyme

5-Methylnicotinamide70-57-5Nicotinamide, 5-methyl-5-Methyl-3-pyridinecarboxamide3-Pyridinecarboxamide, 5-methyl-54US8ZUG7JNSC-87668DTXSID30220254RefChem:103208DTXCID301427455-methylpyridine-3-carboxamideMFCD05664041

Weitere Namen anzeigen

Apremilast Impurity 1213-Pyridinecarboxamide,5-methyl-(9CI)

NSC 87668; 5-Methyl-3-pyridinecarboxamideBCCUXBGEPLKSEX-UHFFFAOYSA-NNSC 87668UNII-54US8ZUG7JNCIOpen2_001036SCHEMBL832732SCHEMBL4482557SCHEMBL4482560

Datenbank-Bezeichner

CAS: 70-57-5
PubChem CID: 65560
DTXSID: DTXSID30220254
ChEMBL: CHEMBL4544263
UNII: 54US8ZUG7J
EC Number: 676-977-8
Nikkaji: J463.626K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 56 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 166 · 166-168°C
Siedepunkt: 290 · 290.0±28.0 °C(Predicted)
Dichte: 1.157 · 1.157±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 14.94 · 14.94±0.50(Predicted)
Farbe: White to Off-White
BRN: 4962976 · 4962976

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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.；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.