CAS No.75946-25-7,L-BETA-HOMOMETHIONINE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	75946-25-7
Name:	L-BETA-HOMOMETHIONINE HYDROCHLORIDE

Formula:	C₆H₁₄ClNO₂S
Molecular Weight:	163.241
Synonyms:	Pentanoicacid, 3-amino-5-(methylthio)-, (R)-;
Density:	1.164±0.06 g/cm3(Predicted)
Boiling Point:	305.1 °C at 760 mmHg
Flash Point:	138.3 °C
PSA:	88.62000
LogP:	2.04380

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Specification

The Pentanoic acid,3-amino-5-(methylthio)-, (3R)- is an organic compound with the formula C₆H₁₄ClNO₂S. The IUPAC name of this chemical is (3S)-3-amino-5-methylsulfanylpentanoic acid hydrochloride. With the CAS registry number 75946-25-7, it is also named as L-β-Homomethionine hydrochloride. The product's categories are β-Homo Amino Acids; Beta Amino Acids.

Physical properties about Pentanoic acid,3-amino-5-(methylthio)-, (3R)- are: (1)ACD/LogP: 0.34; (2)ACD/LogD (pH 5.5): -2.16; (3)ACD/LogD (pH 7.4): -2.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 54.84 Å²; (12)Flash Point: 138.3 °C; (13)Enthalpy of Vaporization: 59.99 kJ/mol; (14)Boiling Point: 305.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000192 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](N)CCSC.Cl
(2)InChI: InChI=1/C6H13NO2S.ClH/c1-10-3-2-5(7)4-6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H/t5-;/m1./s1
(3)InChIKey: DNNAMZKRVSJSSF-NUBCRITNBB
(4)Std. InChI: InChI=1S/C6H13NO2S.ClH/c1-10-3-2-5(7)4-6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H/t5-;/m1./s1
(5)Std. InChIKey: DNNAMZKRVSJSSF-NUBCRITNSA-N