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CAS No.: | 21829-52-7 |
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Name: | Carbonic acid, compound with 2-aminoethanol (1:2) |
Molecular Structure: | |
Formula: | C5H16N2O5 |
Molecular Weight: | 184.19 |
Synonyms: | Carbonic acid, compound with 2-aminoethanol (1:2); bis(2-hydroxyethanaminium) carbonate |
EINECS: | 244-600-2 |
Boiling Point: | 511.3 °C at 760 mmHg |
Flash Point: | 263 °C |
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The Carbonic acid, compound with 2-aminoethanol (1:2) has CAS registry number 21829-52-7. This chemical's molecular formula is C5H16N2O5 and molecular weight is 184.19. Its EINECS registry number is 244-600-2. What's more, its systematic name is Bis(2-hydroxyethanaminium) carbonate.
Physical properties about the Carbonic acid, compound with 2-aminoethanol (1:2) are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 7; (7)#H bond donors: 8; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 158.93 Å2; (10)Flash Point: 263 °C; (11)Enthalpy of Vaporization: 90.05 kJ/mol; (12)Boiling Point: 511.3 °C at 760 mmHg; (13)Vapour Pressure: 1.35E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C([O-])[O-].[NH3+]CCO.[NH3+]CCO
(2) InChI: InChI=1/2C2H7NO.CH2O3/c2*3-1-2-4;2-1(3)4/h2*4H,1-3H2;(H2,2,3,4)
(3) InChIKey: KCNRUFVEYNBDQY-UHFFFAOYAG