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CAS Number: 1821-52-9
2-hydroxy-3-(1H-indol-3-yl)propanoic acid

Structure

 2-hydroxy-3-(1H-indol-3-yl)propanoic acid
Name: 2-hydroxy-3-(1H-indol-3-yl)propanoic acid
Synonyms:
General Information
Product Number: 1821529
CAS Registry Number: 1821-52-9
Name:
        1H-​Indole-​3-​propanoic acid, α-​hydroxy-
        Indole-​3-​lactic acid (6CI,​8CI); Indolelactic acid (7CI); 2-​Hydroxy-​3-​(1H-​indol-​3-​yl)​propanoic acid; 2-​Hydroxy-​3-​(3-​indolyl)​propanoic acid; 3-​(3-​Indolyl)​-​2-​hydroxypropionic acid; 3-​(3-​Indolyl)​-​DL-​lactic acid; 3-​Indolyllactic acid; DL-​Indole-​3-​lactic acid; β-​(3-​Indolyl)​lactic acid; β-​Indolyllactic acid 
        Deleted CAS Registry Numbers: 832-​97-​3
 
Chemical Formula: C11H11NO3
Exact Mass: 205.07
Molecular Weight: 205.21
m/z: 205.07 (100.0%), 206.08 (12.1%), 207.08 (1.3%)
Elemental Analysis: C, 64.38; H, 5.40; N, 6.83; O, 23.39
 
InChI: InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
InChIKey: XGILAAMKEQUXLS-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)O
 
 
Thermal Properties Value Condition Note
Melting Point 145 °C   (7)CAS
Melting Point 144-145 °C (decomp)   (8)CAS
Melting Point 100-101 °C   (9)CAS
Melting Point 97-100 °C   (10)CAS
Melting Point See full text   (11)CAS
Melting Point See full text   (12)CAS

Specification

98%
References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  3. (3) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  4. (4) Kaplan, Kimberly; Analytical Chemistry (Washington, DC, United States) 2009, V81(19), P7944-7953 CAPLUS
  5. (5) Chen, Yanhua; Analyst (Cambridge, United Kingdom) 2009, V134(10), P2003-2011 CAPLUS
  6. (6) Sun, Gang; Analytical Chemistry (Washington, DC, United States) 2007, V79(17), P6629-6640 CAPLUS
  7. (7) Ratusky, Josef; Chemicke Listy pro Vedu a Prumysl 1957, V51, P1091-1100 CAPLUS
  8. (8) Shaw, Kenneth N. F.; Journal of Organic Chemistry 1958, V23, P1171-8 CAPLUS
  9. (9) Armstrong, Marvin D.; Archives of Biochemistry and Biophysics 1954, V52, P287-8 CAPLUS
  10. (10) Ichihara, K.; Z. physiol. Chem. 1936, V243, P244-6 CAPLUS
  11. (11) Preobrazhenskaya, M. N.; Sintez Prirodn. Soedin., ikh Analogov i Fragmentov, Akad. Nauk SSSR, Otd. Obshch. i Tekhn. Khim. 1965, P233-8 CAPLUS
  12. (12) Gortatowski, Melvin J.; Journal of Organic Chemistry 1957, V22, P1217-20 CAPLUS
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