2-(Dimethylamino)-5-pyrimidinecarbaldehyde
Grundinformationen
- CAS
55551-49-0- Standard-SMILES
CN(C)c1ncc(C=O)cn1- InChIKey
XBYXYDVSCMMJDT-UHFFFAOYSA-N- Summenformel
- C7H9N3O
- Durchschnittliche Molmasse
- 151,17 g/mol
- Monoisotopische Masse
- 151,07456191
Namen und Bezeichner
- Bevorzugter Name
- 2-(Dimethylamino)-5-pyrimidinecarbaldehyde
- IUPAC
- 2-(dimethylamino)pyrimidine-5-carbaldehyde
- Englischer Name
- 2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE
- Summenformel
- C7H9N3O
- Molmasse
- 151.17
Namen und Synonyme
2-(DIMETHYLAMINO)-5-PYRIMIDINECARBALDEHYDERefChem:460790800-577-62-(dimethylamino)pyrimidine-5-carbaldehyde55551-49-02-Dimethylamino-pyrimidine-5-carbaldehydeMFCD03446733DTXSID50355279AKOS0002838652-dimethylamino-pyrimidine-5-carboxaldehydeD82215Z274575566
Weitere Namen anzeigen
2-(N,N-DiMethylaMino)pyriMidine-5-carboxaldehydeASISCHEM C63425TIMTEC-BB SBB010324CHEMBRDG-BB 40102705-Pyrimidinecarboxaldehyde, 2-(dimethylamino)-2-(dimethylamino)pyrimidine-5-carbaldehyde(SALTDATA: FREE)2-DIMETHYLAMINO-PYRIMIDINE-5-CARBALDEHYDE ISO 9001:2015 REACH
AMY19926BCP219572-(Dimethylamino)pyrFT-0677114SCHEMBL1134018FCA55149AB15449AS-65273
Datenbank-Bezeichner
- CAS
55551-49-0- PubChem CID
- 795544
- DTXSID
DTXSID50355279- EC Number
- 800-577-6
- Nikkaji
- J433.186I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 46,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 130
Physikochemische Eigenschaften
- Schmelzpunkt
- 122 · 122-124 °C
- Siedepunkt
- 289.6 · 289.6±32.0 °C(Predicted)
- Dichte
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- solid
- pka
- 2.27 · 2.27±0.10(Predicted)
- InChI
- InChI=1S/C7H9N3O/c1-10(2)7-8-3-6(5-11)4-9-7/h3-5H,1-2H3
- InChIKey
- XBYXYDVSCMMJDT-UHFFFAOYSA-N
- SMILES
- C1(N(C)C)=NC=C(C=O)C=N1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (33.3%): 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 3 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 (33.3%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 22-43
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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