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CAS No.: | 136088-69-2 |
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Name: | H-SAR-OTBU HCL |
Molecular Structure: | |
Formula: | C7H15NO2.ClH |
Molecular Weight: | 181.66 |
Synonyms: | Sarcosine tert-butyl ester.HCl;; tert-butyl sarcosinate.HCl; |
Boiling Point: | 168.5 °C at 760 mmHg |
Flash Point: | 55.7 °C |
PSA: | 38.33000 |
LogP: | 1.74040 |
The Sarcosine tert.butyl ester hydrochloride, with the CAS registry number 136088-69-2, has the systematic name of tert-butyl N-methylglycinate hydrochloride (1:1). It belongs to the product category of Amino Acids. And the molecular formula of the chemical is . What's more, it should be stored at 0°C.
The characteristics of Sarcosine tert.butyl ester hydrochloride are as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.05; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 27.14; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 ?2; (13)Flash Point: 55.7 °C; (14)Enthalpy of Vaporization: 40.49 kJ/mol; (15)Boiling Point: 168.5 °C at 760 mmHg; (16)Vapour Pressure: 1.62 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)CNC.Cl
(2)InChI: InChI=1/C7H15NO2.ClH/c1-7(2,3)10-6(9)5-8-4;/h8H,5H2,1-4H3;1H
(3)InChIKey: RNLQHMIDSCYLAK-UHFFFAOYAZ