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61535-49-7

Basic Information
CAS No.: 61535-49-7
Name: H-D-TRP-OET HCL
Article Data: 14
Molecular Structure:
Molecular Structure of 61535-49-7 (H-D-TRP-OET HCL)
Formula: C13H17ClN2O2
Molecular Weight: 268.743
Synonyms: D-Tryptophan,ethyl ester, monohydrochloride (9CI);D-Tryptophan ethyl ester hydrochloride;
Melting Point: 212.5 °C
Boiling Point: 427.8 °C at 760 mmHg
PSA: 68.11000
LogP: 3.10310
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Specification

The CAS registry number of D-Tryptophan, ethylester, hydrochloride (1:1) is 61535-49-7. It belongs to the product categories of Amino Acids and Derivatives; Amino hydrochloride. This chemical is also named as Ethyl D-tryptophanate hydrochloride (1:1). In addition, its molecular formula is C13H17ClN2O2 and molecular weight is 268.74. Its systematic name is called ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride.

Physical properties about D-Tryptophan, ethylester, hydrochloride (1:1) are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Flash Point: 212.5 °C; (7)Enthalpy of Vaporization: 69.6 kJ/mol; (8)Boiling Point: 427.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.CCOC(=O)[C@H](N)Cc2cnc1ccccc12
(2)InChI: InChI=1/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H/t11-;/m1./s1
(3)InChIKey: PESYCVVSLYSXAK-RFVHGSKJBC