2-Amino-5-phenylpyrazine
Grundinformationen
- CAS
13535-13-2- Standard-SMILES
Nc1cnc(-c2ccccc2)cn1- InChIKey
KJAKXVBZQBPPOB-UHFFFAOYSA-N- Summenformel
- C10H9N3
- Durchschnittliche Molmasse
- 171,2 g/mol
- Monoisotopische Masse
- 171,07964729
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-5-phenylpyrazine
- IUPAC
- 5-phenylpyrazin-2-amine
- Englischer Name
- 2-AMINO-5-PHENYLPYRAZINE
- Summenformel
- C10H9N3
- Molmasse
- 171.2
Namen und Synonyme
2-Amino-5-phenylpyrazineDTXSID20344670RefChem:85291DTXCID3029574513535-13-25-phenylpyrazin-2-amineMFCD01646266Pyrazinamine, 5-phenyl-Pyrazine, 2-amino-5-phenyl-5-Phenyl-2-pyrazinamine5-Phenyl-2-aminopyrazine5-phenylpyrazine-2-ylamine
Weitere Namen anzeigen
2-Pyrazinamine, 5-phenyl-5-PHENYL-PYRAZIN-2-YLAMINE2-Amino-5-phenylpyrazine >2-Amino-5-phenylpyrazine 97%2-Amino-5-phenylpyrazine552.63 $5-phenylpyrazin-2-amine - [P9679]2-AMINO-5-PHENYLPYRAZINE ISO 9001：2015 REACH
5-Phenyl-2-pyrazinamine #SCHEMBL934072CHEMBL3747536SCHEMBL298178612-Amino-5-phenylpyrazine, 97%SBB088516AKOS005254633AB09615
Datenbank-Bezeichner
- CAS
13535-13-2- PubChem CID
- 598734
- DTXSID
DTXSID20344670- ChEMBL
CHEMBL3747536- EC Number
- 663-209-1
- Nikkaji
- J102.364K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 51,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 154
Physikochemische Eigenschaften
- Schmelzpunkt
- 143 · 143-148 °C
- Siedepunkt
- 339.3 · 339.3±37.0 °C(Predicted)
- Dichte
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder
- pka
- 2.98 · 2.98±0.10(Predicted)
- InChI
- 1S/C10H9N3/c11-10-7-12-9(6-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,13)
- InChIKey
- KJAKXVBZQBPPOB-UHFFFAOYSA-N
- SMILES
- Nc1cnc(cn1)-c2ccccc2
- CAS Datenbank
- 13535 · 13535-13-2
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (95%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933998090
- risk_code
- 22-36/38-43
- hazard_code
- Xn
- safety_code
- 22-24/25-26-36/37-39-51
- hazard_class
- IRRITANT
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1
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