n,n-Dimethylpiperazine-1-carboxamide

HCID 712909CAS 41340-78-7

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Grundinformationen

Standard-SMILES: CN(C)C(=O)N1CCNCC1
InChIKey: XMFYMWXCIWIHAC-UHFFFAOYSA-N
Summenformel: C7H15N3O
Durchschnittliche Molmasse: 157,21 g/mol
Monoisotopische Masse: 157,1215121

Namen und Bezeichner

Bevorzugter Name: n,n-Dimethylpiperazine-1-carboxamide
IUPAC: N,N-dimethylpiperazine-1-carboxamide
Englischer Name: Piperazine-1-carboxylic acid dimethylamide
Summenformel: C7H15N3O
Molmasse: 157.21

Namen und Synonyme

n,n-dimethylpiperazine-1-carboxamide41340-78-7DTXSID50351897RefChem:359406DTXCID30302963Piperazine-1-carboxylic acid dimethylamideMFCD01050443N,N-dimethyl-1-piperazinecarboxamide1-Piperazinecarboxamide, N,N-dimethyl-piperazine-1-carboxylic acid dimethyl amideN,N-dimethylpiperazinylcarboxamideHMS1551O20

Weitere Namen anzeigen

AKOS BBS-00005897CBI-BB ZERO/006038TIMTEC-BB SBB0025831-(Dimethylcarbamoyl)piperazinePiperazine-1-carboxylic acid dimet1-Piperazinecarboxamide,N,N-dimethyl-(9CI)

AKOS002245260piperazine carboxylic acid dimethylamideA1AKBPiperazine-1-carboxylic acid, dimethylamideCS-0151344Z270760338BCP186821-Piperazinecarboxamide,N,N-dimethyl-

Datenbank-Bezeichner

CAS: 41340-78-7
PubChem CID: 712909
DTXSID: DTXSID50351897
ChEMBL: CHEMBL1616670
EC Number: 674-590-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,9
Polarare Oberfläche (TPSA): 35,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 141

Physikochemische Eigenschaften

Siedepunkt: 79 · 79-80°C/0.2mm
Dichte: 1.058 · 1.058±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 8.55 · 8.55±0.10(Predicted)
Aggregatzustand: solid
Farbe: Pale yellow
InChI: InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
InChIKey: XMFYMWXCIWIHAC-UHFFFAOYSA-N
SMILES: N1(C(N(C)C)=O)CCNCC1
CAS Datenbank: 41340 · 41340-78-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.