L-Asparagine, N-methyl- supplier

Name
(R)-2-AMINO-N-METHYL-SUCCINAMIC ACID
EINECS
CAS No. 7175-34-0
Article Data2
CAS DataBase
Density 1.263 g/cm³
Solubility
Melting Point
Formula C₅H₁₀N₂O₃
Boiling Point 413.3 °C at 760 mmHg
Molecular Weight 146.14
Flash Point 203.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Asparagine,N-methyl-, L- (7CI,8CI);4-N4-Methylasparagine;L-Aspartic acid b-methylamide;N-Methyl-L-asparagine;NSC 294818;β-Aspartyl methylamide;β-Aspartyl methylamide;
PSA 92.42000
LogP -0.37440

L-Asparagine, N-methyl- Specification

The L-Asparagine, N-methyl-, with the CAS registry number 7175-34-0, has the systematic name and IUPAC name of N-methyl-L-asparagine. It is also called β-Aspartyl methylamide. And the molecular formula of the chemical is C₅H₁₀N₂O₃.

The characteristics of L-Asparagine, N-methyl- are as followings: (1)ACD/LogP: -1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.81; (4)ACD/LogD (pH 7.4): -3.91; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 33.89 cm³; (15)Molar Volume: 115.6 cm³; (16)Polarizability: 13.43×10^-24cm³; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.263 g/cm³; (19)Flash Point: 203.7 °C; (20)Enthalpy of Vaporization: 73.07 kJ/mol; (21)Boiling Point: 413.3 °C at 760 mmHg; (22)Vapour Pressure: 5.48E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NC)C[C@H](N)C(=O)O
(2)InChI: InChI=1/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
(3)InChIKey: CFRMVEKWKKDNAH-VKHMYHEABP

Product Name

(R)-2-AMINO-N-METHYL-SUCCINAMIC ACID

L-Asparagine, N-methyl- Specification

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