CAS No.16820-25-0,(S)-2-AMINO-2-METHYL-4-PENTENOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16820-25-0
Name:	(S)-2-AMINO-2-METHYL-4-PENTENOIC ACID
Article Data:	7

Formula:	C₆H₁₁NO₂
Molecular Weight:	129.16
Synonyms:	3-Butenoicacid, 2-amino-2-methyl-, (S)- (8CI);
Density:	1.101 g/cm³
Boiling Point:	245.3 °C at 760 mmHg
Flash Point:	102.1 °C
PSA:	63.32000
LogP:	1.06480

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Specification

The 3-Butenoic acid, 2-amino-2-methyl-, (2S)-, with the CAS registry number 16820-25-0, is also known as (S)-2-Amino-2-methyl-but-3-enoic acid. It belongs to the product category of Glycinescaffold. This chemical's molecular formula is C₆H₁₁NO₂ and molecular weight is 129.16. What's more, its systematic name is (2S)-2-Ammonio-2-methylbut-3-enoate.

Physical properties about 3-Butenoic acid, 2-amino-2-methyl-, (2S)- are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.39; (4)ACD/LogD (pH 7.4): -2.4; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 30 cm³; (15)Molar Volume: 104.5 cm³; (16)Polarizability: 11.89×10^-24 cm³; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.101 g/cm³; (19)Flash Point: 102.1 °C; (20)Enthalpy of Vaporization: 53.12 kJ/mol; (21)Boiling Point: 245.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00946 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]C(=O)[C@](\C=C)([NH3+])C
(2) InChI: InChI=1/C5H9NO2/c1-3-5(2,6)4(7)8/h3H,1,6H2,2H3,(H,7,8)/t5-/m0/s1
(3) InChIKey: PMCCQCBPRLCNMT-YFKPBYRVBS