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584-85-0

Basic Information
CAS No.: 584-85-0
Name: L-Anserine
Article Data: 10
Molecular Structure:
Molecular Structure of 584-85-0 (L-Anserine)
Formula: C10H16N4O3
Molecular Weight: 240.262
Synonyms: Anserine(8CI);Histidine, N-b-alanyl-3-methyl-, L- (7CI);L-Histidine, N-b-alanyl-3-methyl-;β-Alanyl-3-methyl-L-histidine;L-Anserine;
EINECS: 209-545-0
Density: 1.38 g/cm3
Melting Point: 268℃ (decomposition)
Boiling Point: 611.3 °C at 760 mmHg
Flash Point: 323.5 °C
PSA: 110.24000
LogP: -0.02800
Synthetic route

C15H24N4O5

584-85-0

L-anserine

Conditions
ConditionsYield
With hydrogenchloride In water at 20 - 50℃; for 4h;97%
With hydrogenchloride In water at 40 - 50℃; for 8h;5.1 g

C16H20N4O3

584-85-0

L-anserine

Conditions
ConditionsYield
With sodium hydrogencarbonate at 20 - 30℃; for 8h;95%

C25H28N4O5

584-85-0

L-anserine

Conditions
ConditionsYield
With ammonium formate In ethanol at 70 - 80℃; for 12h; Solvent; Reagent/catalyst; Temperature;95%

C12H20N4O3

584-85-0

L-anserine

Conditions
ConditionsYield
With potassium hydroxide at 20 - 30℃; for 8h;93%
1018683-10-7

β-alanyl-3-methyl-L-histidine methyl ester

584-85-0

L-anserine

Conditions
ConditionsYield
With potassium hydroxide at 20 - 30℃; for 8h;92%

C14H24N4O3

584-85-0

L-anserine

Conditions
ConditionsYield
With potassium hydroxide at 20 - 30℃; for 8h;91%

C13H22N4O3

584-85-0

L-anserine

Conditions
ConditionsYield
With potassium carbonate at 20 - 30℃; for 8h;90.5%

C17H22N4O3

584-85-0

L-anserine

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen at 20 - 30℃; for 2h;90%
With palladium 10% on activated carbon; hydrogen at 20 - 30℃; for 2h;4.9 g

C18H24N4O4

584-85-0

L-anserine

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen at 20 - 30℃; for 2h;90%
848572-83-8

phthalyl-L-anserine methylester

584-85-0

L-anserine

Conditions
ConditionsYield
With hydrogenchloride; water; hydrazine for 5h; Heating / reflux;73.8%
Downstream Products
107-95-9
368-16-1
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  • L-Anserine CAS No.584-85-0

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    L-Anserine CAS No.584-85-0

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Specification

The L-Histidine, β-alanyl-3-methyl-, with the CAS registry number 584-85-0, is also known as L-Anserine. It belongs to the product categoy of Chiral heterocyclic compounds. Its EINECS number is 209-545-0. This chemical's molecular formula is C10H16N4O3 and molecular weight is 240.26. What's more, its systematic name is β-alanyl-3-methyl-L-histidine.

Physical properties of L-Histidine, β-alanyl-3-methyl- are: (1)ACD/LogP: -2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.63; (4)ACD/LogD (pH 7.4): -4.88; (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: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 67.67 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 60.43 cm3; (15)Molar Volume: 173.1 cm3; (16)Polarizability: 23.95×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 323.5 °C; (20)Enthalpy of Vaporization: 95.43 kJ/mol; (21)Boiling Point: 611.3 °C at 760 mmHg; (22)Vapour Pressure: 8.52E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)CCN)Cc1cncn1C
(2)InChI: InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
(3)InChIKey: MYYIAHXIVFADCU-QMMMGPOBSA-N