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Cas Database |
| Name |
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate |
EINECS | N/A |
| CAS No. | 641569-96-2 | Density | N/A |
| PSA | 154.25000 | LogP | 2.52560 |
| Solubility | N/A | Melting Point |
197.0 to 201.0 °C |
| Formula | C11H15N3O2.HNO3 | Boiling Point | N/A |
| Molecular Weight | 284.272 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
ethyl 3-(diaminomethylideneamino)-4-methylbenzoate,nitric acid; |
Article Data | 4 |
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate Chemical Properties
Molecular Structure of 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate (CAS No.641569-96-2):
Molecular Formula: C11H15N3O2.HNO3
Molecular Weight: 284.2685
CAS No: 641569-96-2
Systematic Name: Ethyl 3-guanidino-4-methyl-benzoate; nitric acid
H bond acceptors: 9
H bond donors: 5
Freely Rotating Bonds: 4
Polar Surface Area: 154.25 Å2
Flash Point: 214.5 °C
Enthalpy of Vaporization: 72.38 kJ/mol
Boiling Point: 431.1 °C at 760 mmHg
Vapour Pressure: 3.38E-08 mmHg at 25°C
InChI: InChI=1/C11H15N3O2.HNO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);(H,2,3,4)
InChIKey: YQMZYKJPGMVZJL-UHFFFAOYAG
Std. InChI: InChI=1S/C11H15N3O2.HNO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);(H,2,3,4)
Std. InChIKey: YQMZYKJPGMVZJL-UHFFFAOYSA-N
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate Specification
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate (CAS No.641569-96-2), its synonyms are Benzoic acid, 3-[(aminoiminomethyl)amino]-4-methyl-, ethyl ester, nitrate (1:1) ; Ethyl 3-carbamimidamido-4-methylbenzoate nitrate (1:1) .
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