L-Histidine,N,N-dimethyl- supplier

Name
N,N-DIMETHYL-HIS-OH
EINECS
CAS No. 24940-57-6
Article Data3
CAS DataBase
Density 1.258 g/cm³
Solubility
Melting Point
Formula C₈H₁₃N₃O₂
Boiling Point 412.3 °C at 760 mmHg
Molecular Weight 183.21
Flash Point 203.1 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms N,N-Dimethylhistidine;
PSA 69.22000
LogP -0.03300

L-Histidine,N,N-dimethyl- Specification

The L-Histidine,N,N-dimethyl-, with the CAS registry number 24940-57-6, is also known as N,N-Dimethylhistidine. This chemical's molecular formula is C₈H₁₃N₃O₂ and molecular weight is 183.2077. What's more, its IUPAC name is called (2S)-2-(Dimethylamino)-3-(1H-imidazol-5-yl)propanoic acid.

Physical properties about L-Histidine,N,N-dimethyl- are: (1)ACD/LogP: -0.59; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.92; (4)ACD/LogD (pH 7.4): -3.17; (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: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.36Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 47.46 cm³; (15)Molar Volume: 145.5 cm³; (16)Surface Tension: 58 dyne/cm; (17)Density: 1.258 g/cm³; (18)Flash Point: 203.1 °C; (19)Enthalpy of Vaporization: 70.1 kJ/mol; (20)Boiling Point: 412.3 °C at 760 mmHg; (21)Vapour Pressure: 1.55E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N(C)C)Cc1cncn1
(2) InChI: InChI=1/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)
(3) InChIKey: IMOBSLOLPCWZKQ-UHFFFAOYAS

Product Name

N,N-DIMETHYL-HIS-OH

L-Histidine,N,N-dimethyl- Specification

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