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| CAS No.: | 51234-98-1 |
|---|---|
| Name: | N-METHOXYCARBONYLCYANAMIDE SODIUM SALT |
| Molecular Structure: | |
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| Formula: | C3H3N2NaO2 |
| Molecular Weight: | 122.06 |
| Synonyms: | Carbamicacid, cyano-, methyl ester, sodium salt (9CI);Methyl cyanocarbamate sodiumsalt;N-Methoxycarbonylcyanamide sodium salt;Sodium methyl cyanocarbamate; |
| EINECS: | 257-073-9 |
| PSA: | 53.33000 |
| LogP: | 0.00018 |
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Specification
The Carbamicacid, N-cyano-, methyl ester, sodium salt (1:1), with the CAS registry number 51234-98-1, is also known as N-Methoxycarbonylcyanamide sodium salt. Its EINECS number is 257-073-9. This chemical's molecular formula is C3H3N2NaO2 and molecular weight is 122.06. What's more, its systematic name is Carbamic acid, cyano-, methyl ester, sodium salt.
Physical properties of Carbamicacid, N-cyano-, methyl ester, sodium salt (1:1) are: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.65; (4)ACD/LogD (pH 7.4): -2.41; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 53.33 Å2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C#N)C(=O)[O-].[Na+]
(2)InChI: InChI=1S/C3H4N2O2.Na/c1-5(2-4)3(6)7;/h1H3,(H,6,7);/q;+1/p-1
(3)InChIKey: UVJYATLICUROFI-UHFFFAOYSA-M