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CAS Number: 68301-82-6
2-amino-6-isopropyl-4-oxo-4H-chromene-3-carbaldehyde

Structure

 2-amino-6-isopropyl-4-oxo-4H-chromene-3-carbaldehyde
Name: 2-amino-6-isopropyl-4-oxo-4H-chromene-3-carbaldehyde
Synonyms:
General Information
Product Number: 68301826

CAS Registry Number 68301-82-6
Name:
4H-?1-?Benzopyran-?3-?carboxaldehyde, 2-?amino-?6-?(1-?methylethyl)?-?4-?oxo-
2-Amino-6-(1-methylethyl)-4-oxo-4H-1-benzopyran-3-carboxaldehyde

 

Chemical Formula: C13H13NO3
Exact Mass: 231.09
Molecular Weight: 231.25
m/z: 231.09 (100.0%), 232.09 (14.5%)

 

InChI:InChI=1S/C13H13NO3/c1-7(2)8-3-4-11-9(5-8)12(16)10(6-15)13(14)17-11/h3-7H,14H2,1-2H3

InChI Key:DIIFIVCMZHKOEF-UHFFFAOYSA-N

Canonical SMILES:CC(C)C1=CC2=C(C=C1)OC(=C(C2=O)C=O)N

 

Thermal Properties Value Condition Note
Melting Point 206-208 °C Solv: acetic acid (64-19-7) (1)IC
Melting Point 206-208 °C Solv: acetic acid (64-19-7) (2)IC
Melting Point See full text   (3)IC

Specification

98%
References
  1. (1) Nohara, Akira; Journal of Medicinal Chemistry 1985, V28(5), P559-68 CAPLUS
  2. (2) Nohara, Akira; JP 61010588 A 1986 CAPLUS
  3. (3) Ishiguro, Toshihiro; Heterocycles 1981, V16(5), P733-40 CAPLUS
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