Bookmark and Share
1 hit(s) found in 0.11 seconds
Search term: VAJSWYGXJIEKGX-QPOHYMPGBO
Found by InChIKey (full match)
Please login to be able to add spectra, identifiers, links and publications.
  • Comments
  • Image
  • Spectrum
  • CIF
  • Identifier
  • Description
  • Add:
Inherent Properties, Identifiers and References
ChemSpider ID: 58247
Empirical Formula: C18H26ClNO3
Molecular Weight: 339.8569
Nominal Mass: 339 Da
Average Mass: 339.8569 Da
Monoisotopic Mass: 339.160121 Da
Systematic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2S)-3-hydroxy-2-methyl-​2-phenyl-propanoate hydrochloride
SMILES: Cl.O=C(OC2CC1N(C)C(CC1)C2)[C@](c3ccccc3)(C)CO
InChI: InChI=1/C18H25NO3.ClH/c1-18(12-20,13-6-4-3-5-7-13)17(21)22-16-10-​14-8-9-15(11-16)19(14)2;/h3-7,14-16,20H,8-12H2,1-2H3;1H/t14?,15?,​16?,18-;/m1./s1
InChIKey: VAJSWYGXJIEKGX-QPOHYMPGBO
Std. InChI: InChI=1S/C18H25NO3.ClH/c1-18(12-20,13-6-4-3-5-7-13)17(21)22-16-10​-14-8-9-15(11-16)19(14)2;/h3-7,14-16,20H,8-12H2,1-2H3;1H/t14?,15?​,16?,18-;/m1./s1
Std. InChIKey: VAJSWYGXJIEKGX-QPOHYMPGSA-N
Associated Data Sources and Commercial Suppliers Filter
Patents
PubMed Articles
Names and Synonyms

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

(-)-alpha​-Methylhy​oscyamine​ hydrochl​oride

(3(S)-end​o)-8-Meth​yl-8-azab​icyclo(3.​2.1)oct-3​-yl alpha​-(hydroxy​methyl)-a​lpha-meth​ylbenzene​acetate

14641-96-4 [RN]

1-alpha-H​,5-alpha-​H-Tropan-​3-alpha-o​l, (-)-2-​methyl-2-​phenylhyd​racrylate​ (ester),​ HCl

3-alpha-T​ropanyl (​-)-2-meth​yl-2-phen​ylhydracr​ylate hyd​rochloride

8-Methyl-​8-azabicy​clo(3.2.1​)oct-3-yl​ alpha-(h​ydroxymet​hyl)-alph​a-methylb​enzeneace​tate hydr​ochloride​, (3(S)-e​ndo)-

Benzeneac​etic acid​, alpha-(​hydroxyme​thyl)-alp​ha-methyl​-, 8-meth​yl-8-azab​icyclo(3.​2.1)oct-3​-yl ester​, hydroch​loride, (​3(S)-endo​)-

Hydracryl​ic acid, ​(-)-2-met​hyl-2-phe​nyl-, 3-a​lpha-trop​anyl este​r, hydroc​hloride

Levomepat​e hydroch​loride

Tropine (​-)-alpha-​methyltro​pate hydr​ochloride

ACD/LogP: 1.88 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -1.2 ACD/LogD (pH 7.4): -0.6
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: 220 °C Enthalpy of Vaporization: 73.48 kJ/mol
Boiling Point: 440.1 °C at 760 mmHg Vapour Pressure: 1.6E-08 mmHg at 25°C