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CAS Number: 25475-67-6
isoquinolin-3-amine

Structure

isoquinolin-3-amine
Name: isoquinolin-3-amine
Synonyms:
General Information
Product Number: 25475676
CAS Registry Number: 25475-67-6
Name:
3-​Isoquinolinamine
Isoquinoline, 3-​amino- (6CI,​7CI,​8CI); 3-​Aminoisoquinoline; Isoquinolin-​3-​ylamine; NSC 218383 
 
Chemical Formula: C9H8N2
Exact Mass: 144.07
Molecular Weight: 144.17
m/z: 144.07 (100.0%), 145.07 (10.5%)
Elemental Analysis: C, 74.98; H, 5.59; N, 19.43
 
InChI: InChI=1S/C9H8N2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H,(H2,10,11)
InChIKey: VYCKDIRCVDCQAE-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C=NC(=CC2=C1)N
 
Thermal Properties Value Condition Note
Melting Point 178 °C   (5)CAS
Melting Point 177-178 °C Solv: benzene (71-43-2) (6)CAS
Melting Point 176-178 °C   (7)IC
Melting Point 176-177 °C Solv: benzene (71-43-2) (8)CAS
Melting Point 168-170 °C Solv: benzene (71-43-2) (9)CAS

Specification

98%

References
  1. (1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Van Veldhuizen, A.; Organic Magnetic Resonance 1980, V13(2), P105-9 CAPLUS
  4. (4) Kook, Alan M.; Organic Magnetic Resonance 1984, V22(11), P730-3 CAPLUS
  5. (5) Teague, Claude E., Jr.; Journal of the American Chemical Society 1951, V73, P688-9 CAPLUS
  6. (6) Okano, Teisuke; Yakugaku Zasshi 1966, V86(7), P544-7 CAPLUS
  7. (7) Bailey, A. Sydney; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1975, (5), P420-4 CAPLUS
  8. (8) Osborn, A. R.; Journal of the Chemical Society 1956, P4191-206 CAPLUS
  9. (9) Ikehara, Morio; Chem. & Pharm. Bull. (Tokyo) 1959, V7, P501-4 CAPLUS
  10. (10) Balog, Jozsef; Tetrahedron Letters 2011, V52(41), P5264-5266 CAPLUS
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