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Search term: VZDNSFSBCMCXSK-ZQXFGJFABQ
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Inherent Properties, Identifiers and References
ChemSpider ID: 58242
Empirical Formula: C17H24BrNO3
Molecular Weight: 370.2814
Nominal Mass: 369 Da
Average Mass: 370.2814 Da
Monoisotopic Mass: 369.093949 Da
Systematic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-3-hydroxy-2-phenyl-​propanoate hydrobromide
SMILES: Br.O=C(OC2CC1N(C)C(CC1)C2)[C@@H](c3ccccc3)CO
InChI: InChI=1/C17H23NO3.BrH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(1​1-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H/t13?,14?,15?,1​6-;/m1./s1
InChIKey: VZDNSFSBCMCXSK-ZQXFGJFABQ
Std. InChI: InChI=1S/C17H23NO3.BrH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(​11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H/t13?,14?,15?,​16-;/m1./s1
Std. InChIKey: VZDNSFSBCMCXSK-ZQXFGJFASA-N
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(-)-Atrop​ine hydro​bromide

1alphaH,5​alphaH-Tr​opan-3alp​ha-ol (-)​-tropate ​(ester) h​ydrobromi​de

206-174-6 [EINECS/ELINCS]

306-03-6 [RN]

4607-53-8 [RN]

Benzeneac​etic acid​, alpha-(​hydroxyme​thyl)-, (​3-endo)-8​-methyl-8​-azabicyc​lo(3.2.1)​oct-3-yl ​ester, hy​drobromid​e, (alpha​S)-

Benzeneac​etic acid​, alpha-(​hydroxyme​thyl)-, 8​-methyl-8​-azabicyc​lo(3.2.1)​oct-3-yl ​ester, hy​drobromid​e (3(S)-e​ndo)-

Daturine ​Hydrobrom​ide

Dolonil

hyoscyami​ne hydrob​romide

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ACD/LogP: 1.53 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -1.55 ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1
#H bond acceptors: 4 #H bond donors: 1
#Freely Rotating Bonds: 6 Polar Surface Area: 38.77 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 213.7 °C Enthalpy of Vaporization: 72.22 kJ/mol
Boiling Point: 429.8 °C at 760 mmHg Vapour Pressure: 3.76E-08 mmHg at 25°C