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CAS Number: 76884-34-9
isoquinolin-3-ylmethanol

Structure

isoquinolin-3-ylmethanol
Name: isoquinolin-3-ylmethanol
Synonyms:
General Information
Product Number: 76884349
CAS Registry Number: 76884-34-9
Name:
3-​Isoquinolinemethanol
3-​(Hydroxymethyl)​isoquinoline; Isoquinolin-​3-​ylmethanol 
 
Chemical Formula: C10H9NO
Exact Mass: 159.07
Molecular Weight: 159.18
m/z: 159.07 (100.0%), 160.07 (11.3%)
Elemental Analysis: C, 75.45; H, 5.70; N, 8.80; O, 10.05
 
InChI: InChI=1S/C10H9NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-6,12H,7H2
InChIKey: CMGQQHGOFWZGJH-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C=NC(=CC2=C1)CO
 
Thermal Properties Value Condition Note
Melting Point 81 °C   (2)CAS
Melting Point 78-82 °C   (3)CAS

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Erlenmeyer, H.; Helvetica Chimica Acta 1948, V31, P1978-93 CAPLUS
  3. (3) Bazzini, Cristina; European Journal of Organic Chemistry 2005, (7), P1247-1257 CAPLUS
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