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18218-04-7

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Basic Information
CAS No.: 18218-04-7
Name: TETRAETHYLAMMONIUM CYANATE
Molecular Structure:
Molecular Structure of 18218-04-7 (TETRAETHYLAMMONIUM CYANATE)
Formula: C9H20N2O
Molecular Weight: 172.27
Synonyms: TETRAETHYLAMMONIUM CYANATE;Tetraethylammonium cyanate technical
EINECS: 242-100-9
Melting Point: ~270 °C (dec.)(lit.)
Safety: 22-24/25
PSA: 46.85000
LogP: 1.78078
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Specification

The Tetraethylazanium cyanate has CAS registry number 18218-04-7. Its EINECS registry number is 242-100-9. This chemical's molecular formula is C9H20N2O and molecular weight is 172.27. What's more, its systematic name is N,N,N-Triethylethanaminium cyanate. The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about the Tetraethylazanium cyanate are: (1)ACD/LogP: -3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.17; (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: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]C#N.C([N+](CC)(CC)CC)C
(2) InChI: InChI=1/C8H20N.CHNO/c1-5-9(6-2,7-3)8-4;2-1-3/h5-8H2,1-4H3;3H/q+1;/p-1
(3) InChIKey: YVMHKCAQRHAEMF-REWHXWOFAQ