3-Butenoic acid,2-amino-2-methyl-, (2S)- supplier

Name
(S)-2-AMINO-2-METHYL-4-PENTENOIC ACID
EINECS
CAS No. 16820-25-0
Article Data7
CAS DataBase
Density 1.101 g/cm³
Solubility
Melting Point
Formula C₆H₁₁NO₂
Boiling Point 245.3 °C at 760 mmHg
Molecular Weight 129.16
Flash Point 102.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Butenoicacid, 2-amino-2-methyl-, (S)- (8CI);
PSA 63.32000
LogP 1.06480

3-Butenoic acid,2-amino-2-methyl-, (2S)- 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

Product Name

(S)-2-AMINO-2-METHYL-4-PENTENOIC ACID

3-Butenoic acid,2-amino-2-methyl-, (2S)- Specification

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