CAS No.270596-46-8,(S)-3-AMINO-5-HEXYNOIC ACID HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	270596-46-8
Name:	(S)-3-AMINO-5-HEXYNOIC ACID HYDROCHLORIDE

Formula:	C₆H₁₀ClNO₂
Molecular Weight:	163.6
Synonyms:	(3S)-3-Amino-5-hexynoic acid hydrochloride;(S)-3-Amino-5-hexynoic acid-HCl;(3S)-3-Aminohex-5-ynoic acid hydrochloride;
Density:	1.155±0.06 g/cm3 (20 ºC 760 Torr)
Boiling Point:	274.4 °C at 760 mmHg
Flash Point:	119.8 °C
Solubility:	Soluble in water (90 g/L at 25°C).
PSA:	63.32000
LogP:	1.31400

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Specification

The 5-Hexynoic acid, 3-amino-, (3S)-, hydrochloride (1:1), with the CAS registry number 270596-46-8, is also known as (S)-3-Amino-5-hexynoic acid-HCl. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₆H₁₀ClNO₂ and molecular weight is 163.6. What's more, its systematic name is (3S)-3-aminohex-5-ynoic acid hydrochloride.

Physical properties of 5-Hexynoic acid, 3-amino-, (3S)-, hydrochloride (1:1) are: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.52; (4)ACD/LogD (pH 7.4): -2.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1 ; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å²; (11)Flash Point: 119.8 °C; (12)Enthalpy of Vaporization: 56.44 kJ/mol; (13)Boiling Point: 274.4 °C at 760 mmHg; (14)Vapour Pressure: 0.00149 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(O)C[C@@H](N)CC#CInChI:
(2)InChI=1S/C6H9NO2.ClH/c1-2-3-5(7)4-6(8)9;/h1,5H,3-4,7H2,(H,8,9);1H/t5-;/m0./s1
(3)InChIKey: FVKOZZHCHSRKJA-JEDNCBNOSA-N