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CAS No.: | 71173-62-1 |
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Name: | L-Arginine acetate |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H18N4O4 |
Molecular Weight: | 234.255 |
Synonyms: | L-ArginineAcetate; |
EINECS: | 275-247-2 |
Melting Point: | 222-225 °C |
Boiling Point: | 409.1 °C at 760 mmHg |
Flash Point: | 201.2 °C |
PSA: | 162.52000 |
LogP: | 0.64370 |
Conditions | Yield |
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In water |
The L-Arginine acetate, with the CAS registry number 71173-62-1, is also known as L-Arginine monoacetate. Its EINECS registry number is 275-247-2. This chemical's molecular formula is C8H18N4O4 and molecular weight is 234.25. What's more, its IUPAC name is called Acetic acid; (2S)-2-Amino-5-(diaminomethylideneamino)pentanoic acid.
Physical properties about L-Arginine acetate are: (1)ACD/LogP: -1.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.79; (4)ACD/LogD (pH 7.4): -4.78; (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: 6; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48.38 Å2; (13)Flash Point: 201.2 °C; (14)Enthalpy of Vaporization: 72.55 kJ/mol; (15)Boiling Point: 409.1 °C at 760 mmHg; (16)Vapour Pressure: 7.7E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C.O=C(O)[C@@H](N)CCC/N=C(\N)N
(2) InChI: InChI=1/C6H14N4O2.C2H4O2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H3,(H,3,4)/t4-;/m0./s1
(3) InChIKey: OZBJWQQAAQSQPL-WCCKRBBIBM