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O-Acetyl-L-homoserine hydrochloride

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Name

O-Acetyl-L-homoserine hydrochloride

EINECS N/A
CAS No. 250736-84-6 Density N/A
PSA 89.62000 LogP 0.85380
Solubility N/A Melting Point 103-106°C
Formula C6H12ClNO4 Boiling Point 327.7 °C at 760 mmHg
Molecular Weight 197.62 Flash Point 152 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 250736-84-6 (O-Acetyl-L-homoserine hydrochloride) Hazard Symbols N/A
Synonyms

(1S)-3-(Acetyloxy)-1-carboxypropan-1-aminium chloride;

 

O-Acetyl-L-homoserine hydrochloride Specification

The O-Acetyl-L-homoserine hydrochloride has CAS registry number 250736-84-6. This chemical's molecular formula is C6H12ClNO4 and molecular weight is 197.62. What's more, its systematic name is (1S)-3-(Acetyloxy)-1-carboxypropan-1-aminium chloride.

Physical properties about O-Acetyl-L-homoserine hydrochloride are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.69; (4)ACD/LogD (pH 7.4): -2.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å2; (13)Flash Point: 152 °C; (14)Enthalpy of Vaporization: 62.66 kJ/mol; (15)Boiling Point: 327.7 °C at 760 mmHg; (16)Vapour Pressure: 3.95E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].O=C(OCC[C@@H](C(=O)O)[NH3+])C
(2) InChI: InChI=1/C6H11NO4.ClH/c1-4(8)11-3-2-5(7)6(9)10;/h5H,2-3,7H2,1H3,(H,9,10);1H/t5-;/m0./s1
(3) InChIKey: LFZHWEFUZURWRL-JEDNCBNOBW

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