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HCID 81444Erstellt: 27. Oktober 2026

N,N-Dimethylnicotinamid

N,N-diamide · dimethylnicotinamide · Nicotinamide Impurity 97 · N,N-Dimethylnicotinamide · N,N-Dimethylnicotinamide >3-(Dimethylcarbamoyl)pyridine · nicotinic acid,amide,N,N-dimethyl · NICOTINAMIDE, N,N-DIMETHYL- (8CI) · N,N-diMethyl-3-PyridinecarboxaMide

https://huagongshe.com/de/chemical/81444

Molekülstruktur von N,N-Dimethylnicotinamid

Identifikatoren & physikalische Daten

CAS No.	6972-69-6
Summenformel	C8H10N2O
Durchschnittliche Molmasse	150,18 g/mol
Monoisotopische Masse	150,07931294 g/mol
SMILES	CN(C)C(=O)c1cccnc1
InChIKey	FJEVKYZLIRAAKE-UHFFFAOYSA-N
PubChem CID	81444
EC No.	230-209-4
DTXSID	DTXSID70220011
Lokaler Name	N,N-Dimethylnicotinamid

Chemische & physikalische Eigenschaften

XLogP	-0,5
Polarare Oberfläche (TPSA)	33,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	145
SpringerMaterials Properties	Density
LogP (Verteilungskoeffizient)	-0.48
Schmelzpunkt	44°C
Siedepunkt	147 °C / 9mmHg
Dichte	1.088±0.06 g/cm3(Predicted)
Lagerbedingungen	Inert atmosphere,Room Temperature
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	3.92±0.10(Predicted)
Farbe	White to Light yellow
InChI	1S/C8H10N2O/c1-10(2)8(11)7-4-3-5-9-6-7/h3-6H,1-2H3
InChIKey	FJEVKYZLIRAAKE-UHFFFAOYSA-N
SMILES	CN(C)C(=O)c1cccnc1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (97.5%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	2933399990
R-Sätze (R)	22
Gefahrensymbole	Xn
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

N,N-Dimethylnicotinamid

CAS No.

6972-69-6

Summenformel

C8H10N2O

Durchschnittliche Molmasse

150,18 g/mol

Monoisotopische Masse

150,07931294 g/mol

SMILES

CN(C)C(=O)c1cccnc1

InChIKey

FJEVKYZLIRAAKE-UHFFFAOYSA-N

PubChem CID

81444

EC No.

230-209-4

DTXSID

DTXSID70220011

Lokaler Name

N,N-Dimethylnicotinamid

Chemische & physikalische Eigenschaften

XLogP

-0,5

Polarare Oberfläche (TPSA)

33,2

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

145

SpringerMaterials Properties

Density

LogP (Verteilungskoeffizient)

-0.48

Schmelzpunkt

44°C

Siedepunkt

147 °C / 9mmHg

Dichte

1.088±0.06 g/cm3(Predicted)

Lagerbedingungen

Inert atmosphere,Room Temperature

Aggregatzustand

powder to crystal

pKa (Säurekonstante)

3.92±0.10(Predicted)

Farbe

White to Light yellow

InChI

1S/C8H10N2O/c1-10(2)8(11)7-4-3-5-9-6-7/h3-6H,1-2H3

InChIKey

FJEVKYZLIRAAKE-UHFFFAOYSA-N

SMILES

CN(C)C(=O)c1cccnc1

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (97.5%)

Wassergefährdungsklasse (WGK)

WGK 3

Zollcode

2933399990

R-Sätze (R)

Gefahrensymbole

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3