DL-Alanine, N- (2-cyanoethyl)- supplier

Name
N-(2-Cyanoethyl)-DL-alanine
EINECS
CAS No. 63905-32-8
Density 1.139 g/cm³
Solubility
Melting Point
Formula C₆H₁₀N₂O₂
Boiling Point 329.4 °C at 760 mmHg
Molecular Weight 142.1558
Flash Point 153 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC75447;
PSA 73.12000
LogP 0.35368

DL-Alanine, N- (2-cyanoethyl)- Specification

The CAS registry number of DL-Alanine, N- (2-cyanoethyl)- is 63905-32-8. This chemical is also named as NSC75447. In addition, its molecular formula is C₆H₁₀N₂O₂ and molecular weight is 142.1558. Its systematic name is called N-(2-cyanoethyl)alanine.

Physical properties about DL-Alanine, N- (2-cyanoethyl)- are: (1)ACD/LogP: -0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.93; (4)ACD/LogD (pH 7.4): -3.09; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.471; (13)Molar Refractivity: 34.87 cm³; (14)Molar Volume: 124.7 cm³; (15)Surface Tension: 46.7 dyne/cm; (16)Density: 1.139 g/cm³; (17)Flash Point: 153 °C; (18)Enthalpy of Vaporization: 62.86 kJ/mol; (19)Boiling Point: 329.4 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCNC(C(=O)O)C
(2)InChI: InChI=1/C6H10N2O2/c1-5(6(9)10)8-4-2-3-7/h5,8H,2,4H2,1H3,(H,9,10)
(3)InChIKey: NGTORYSYDRDVFM-UHFFFAOYAR

Product Name

N-(2-Cyanoethyl)-DL-alanine

DL-Alanine, N- (2-cyanoethyl)- Specification

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