CAS 100960-07-4 1H-pyrrolo(2,3-b)pyridin-5-amine (HCID 11715187)

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Grundinformationen

CAS: 100960-07-4
Standard-SMILES: Nc1cnc2[nH]ccc2c1
InChIKey: PLWBENCHEUFMTN-UHFFFAOYSA-N
Summenformel: C7H7N3
Durchschnittliche Molmasse: 133,15 g/mol
Monoisotopische Masse: 133,06399724

Namen und Bezeichner

Bevorzugter Name: 1H-pyrrolo(2,3-b)pyridin-5-amine
IUPAC: 1H-pyrrolo[2,3-b]pyridin-5-amine
Englischer Name: 5-Amino-7-azaindole
Summenformel: C7H7N3
Molmasse: 133.15

Namen und Synonyme

1H-pyrrolo[2,3-b]pyridin-5-amine1H-pyrrolo(2,3-b)pyridin-5-amineRefChem:439250801-191-05-Amino-7-azaindole100960-07-41H-Pyrrolo[2,3-b]pyridin-5-ylamineMFCD06659683C7H7N3SCHEMBL9265361H-PYRROLO[2,3-B]PYRIDINE-5-AMINE5-AMINO-1H-PYRROLO[2,3-B]PYRIDINE

Weitere Namen anzeigen

3-B]PYRIDIN-5-YLAMINE5-Amino-7-azaindole,97%5-AMino-7-aza-1H-indole1H-Pyrrolo[2,3-b]pyridin-5-amin1H-Pyrrolo[2,3-b]pyridine,5-amino-(6CI)

pyrrolo[2,3-b]pyrid-5-ylamineDTXSID50471009PLWBENCHorb3022774SCHEMBL29502620TPL0243PLWBENCHEUFMTN-UHFFFAOYSA-N1H-Pyrrolo[2,3-b]pyridin 5-ylamine

Datenbank-Bezeichner

CAS: 100960-07-4
PubChem CID: 11715187
DTXSID: DTXSID50471009
EC Number: 801-191-0
Nikkaji: J2.242.849G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 54,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Schmelzpunkt: 128 · 128-129°C
Siedepunkt: 361.7 · 361.7±35.0 °C(Predicted)
Dichte: 1.41 · 1.41±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 8.28 · 8.28±0.20(Predicted)
Aggregatzustand: Solid
Farbe: Yellow to yellow/brown
InChI: InChI=1S/C7H7N3/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,8H2,(H,9,10)
InChIKey: PLWBENCHEUFMTN-UHFFFAOYSA-N
SMILES: C12NC=CC1=CC(N)=CN=2
CAS Datenbank: 100960 · 100960-07-4

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 3 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.