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Search term: OPDWEBDRWYXRGZ-UHFFFAOYAH
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Inherent Properties, Identifiers and References
ChemSpider ID: 172155
Empirical Formula: C7H14ClN3O2
Molecular Weight: 207.658
Nominal Mass: 207 Da
Average Mass: 207.658 Da
Monoisotopic Mass: 207.077454 Da
Systematic Name: 3-(3-dimethylaminopropyl)oxadiazol-3-ium-5-olate hydrochloride
SMILES: Cl.[O-]c1on[n+](c1)CCCN(C)C
InChI: InChI=1/C7H13N3O2.ClH/c1-9(2)4-3-5-10-6-7(11)12-8-10;/h6H,3-5H2,1​-2H3;1H
InChIKey: OPDWEBDRWYXRGZ-UHFFFAOYAH
Std. InChI: InChI=1S/C7H13N3O2.ClH/c1-9(2)4-3-5-10-6-7(11)12-8-10;/h6H,3-5H2,​1-2H3;1H
Std. InChIKey: OPDWEBDRWYXRGZ-UHFFFAOYSA-N
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3-(3-(Dim​ethylamin​o)propyl)​sydnone m​onohydroc​hloride

3483-30-5 [RN]

Sydnone, ​3-(3-(dim​ethylamin​o)propyl)​-, monohy​drochlori​de

ACD/LogP: # of Rule of 5 Violations:
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 5 #H bond donors: 1
#Freely Rotating Bonds: 5 Polar Surface Area: 53.38 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: °C Enthalpy of Vaporization: kJ/mol
Boiling Point: °C at 760 mmHg Vapour Pressure: mmHg at 25°C