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CAS Number: 80304-50-3
(1-benzyl-1H-imidazol-5-yl)methanol

Structure

(1-benzyl-1H-imidazol-5-yl)methanol
Name: (1-benzyl-1H-imidazol-5-yl)methanol
Synonyms:
General Information
Product Number: 80304503

CAS Registry Number: 80304-50-3

Name:

1H-​Imidazole-​5-​methanol, 1-​(phenylmethyl)​-
1-​Benzyl-​5-​(hydroxymethyl)​imidazole; 1-​Benzyl-​5-​hydroxymethyl-​1H-​imidazole 

 

Chemical Formula: C11H12N2O
Exact Mass: 188.09
Molecular Weight: 188.23
m/z: 188.09 (100.0%), 189.10 (12.1%)

 

InChI: InChI=1S/C11H12N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
InChIKey: GQZILHANXWXTIW-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)CN2C=NC=C2CO

 

Thermal Properties Value Condition Note
Melting Point 137-139 °C Solv: acetone (67-64-1) (7)CAS
Melting Point 137-138 °C Solv: acetone (67-64-1) (4)IC
Melting Point 135-136 °C   (5)CAS
Melting Point See full text   (3)CAS

Specification

98%

References
  1. (1) Aulaskari, Paula; Journal of Heterocyclic Chemistry 1996, V33(4), P1345-1354 CAPLUS
  2. (2) Cappon, J. J.; Recueil des Travaux Chimiques des Pays-Bas 1994, V113(6), P318-28 CAPLUS
  3. (3) Maligres, Peter E.; Journal of Heterocyclic Chemistry 2003, V40(2), P229-241 CAPLUS
  4. (4) Kokosa, John M.; Journal of Organic Chemistry 1983, V48(20), P3605-7 CAPLUS
  5. (5) Millet, Regis; Journal of Medicinal Chemistry 2004, V47(27), P6812-6820 CAPLUS
  6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  7. (7) Ohkanda, Junko; Organic & Biomolecular Chemistry 2006, V4(3), P482-492 CAPLUS
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