Pyrimidin-2,4-diyldiamin

2,4-Diaminopyrimidine

HCID 67431CAS 156-81-0

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Grundinformationen

Standard-SMILES: Nc1ccnc(N)n1
InChIKey: YAAWASYJIRZXSZ-UHFFFAOYSA-N
Summenformel: C4H6N4
Durchschnittliche Molmasse: 110,12 g/mol
Monoisotopische Masse: 110,05924621

Namen und Bezeichner

Bevorzugter Name: 2,4-Diaminopyrimidine
IUPAC: pyrimidine-2,4-diamine
Lokaler Name: Pyrimidin-2,4-diyldiamin
Englischer Name: 2,4-Diaminopyrimidine
Summenformel: C4H6N4
Molmasse: 110.12

Namen und Synonyme

2,4-Diaminopyrimidine156-81-02,4-PyrimidinediaminePyrimidine, 2,4-diamino-L5ZY0JJP5JDTXSID70166021NSC-30856RefChem:443187DTXCID3088512205-862-3PYRIMIDINE-2,4-DIAMINEDiaminopyrimidine

Weitere Namen anzeigen

DAPMinoxidil Impurity 35Minoxidil Impurity 28Pyrimidine,2,4-diamino-2,4-Diaminopyrimidine>

MFCD00038023Pyrimidine-2,4-diyldiamine2,4-diamino-pyrimidine2,6-DiaminopyrimidineLG3cytosine imine8-azacytosineEINECS 205-862-3

Datenbank-Bezeichner

CAS: 156-81-0
PubChem CID: 67431
DTXSID: DTXSID70166021
ChEMBL: CHEMBL1233987
ChEBI: CHEBI:43745
UNII: L5ZY0JJP5J
EC Number: 205-862-3
Nikkaji: J79.463E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 77,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 74

Physikochemische Eigenschaften

Schmelzpunkt: 143 · 143-147 °C (lit.)
Siedepunkt: 401.7 · 401.7±37.0 °C(Predicted)
Dichte: 1.368 · 1.368±0.06 g/cm3(Predicted)
Brechungsindex: 1.46 · 1.46-1.466
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
pka: 7.08 · 7.08±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Almost white
Wasserlöslichkeit: 840 g/L · 840 g/L (25 ºC)
InChI: InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)
InChIKey: YAAWASYJIRZXSZ-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(N)=N1
CAS Datenbank: 156 · 156-81-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.3%): 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 45 reports by companies from 7 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.