β-Alanine, N-methyl- supplier

Name
3-(METHYLAMINO)PROPIONIC ACID
EINECS
CAS No. 2679-14-3
Article Data15
CAS DataBase
Density 1.052 g/cm³
Solubility
Melting Point 164-166°C
Formula C₄H₉NO₂
Boiling Point 217.3 °C at 760 mmHg
Molecular Weight 103.121
Flash Point 85.2 °C
Transport Information
Appearance white solid
Safety
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(methylamino)propanoic acid
PSA 49.33000
LogP 0.07140

β-Alanine, N-methyl- Specification

The β-Alanine, N-methyl-, with the CAS registry number 2679-14-3, has the systamtic name of N-methyl-β-alanine. It is a kind of white solid, and it belongs to the following product categories of Amino Acids & Derivatives. The molecular formula of the chemical is C₄H₉NO₂.

The characteristics of β-Alanine, N-methyl- are as followings: (1)ACD/LogP: -0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.13; (4)ACD/LogD (pH 7.4): -3.12; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 25.73 cm³; (15)Molar Volume: 98 cm³; (16)Polarizability: 10.2×10^-24cm³; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.052 g/cm³; (19)Flash Point: 85.2 °C; (20)Enthalpy of Vaporization: 49.99 kJ/mol; (21)Boiling Point: 217.3 °C at 760 mmHg; (22)Vapour Pressure: 0.051 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCNC
(2)InChI: InChI=1/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)
(3)InChIKey: VDIPNVCWMXZNFY-UHFFFAOYAE

Product Name

3-(METHYLAMINO)PROPIONIC ACID

β-Alanine, N-methyl- Specification

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