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120-29-6

120-29-6 Structure

120-29-6 Structure
IdentificationMore
[Name]

Tropine
[CAS]

120-29-6
[Synonyms]

2,3-DIHYDRO-3A-HYDROXY-8-METHYLNORTROPIDINE
3-TROPANOL
8-AZA-N-METHYLBICYCLO-[3.2.1]OCTAN-3-OL
ENDO-8-METHYL-8-AZABICYCLO[3,2.1]OCTAN-3-OL
N-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-OL
TIMTEC-BB SBB006506
TROPAN-3ALPHA-OL
TROPANOL
TROPINE
1-alpha-h,5-alpha-h-tropan-3-alpha-ol
1alphaH,5alphaH-Tropan-3alpha-ol
2,3-Dihydro-3alpha-hydroxytropidine
3-alpha-tropanol
3alpha-Tropanol
8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, endo-
8-Azabicyclo[3.2.1]octanol, 8-methyl-
endo-8-azabicyclo(3.2.1)octan-3-o
endo-8-azabicyclo[3.2.1]octan-3-o
N-Tropine (trans)
N-Methyl-8-azabicyclo[3.2.1]octan-3-ol~3-Tropanol
[EINECS(EC#)]

204-384-2
[Molecular Formula]

C8H15NO
[MDL Number]

MFCD00005551
[Molecular Weight]

141.21
[MOL File]

120-29-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to slightly yellow crystalline powder
[Melting point ]

50-60 °C(lit.)
[Boiling point ]

233 °C(lit.)
[density ]

1.045 g/mL at 25 °C(lit.)
[refractive index ]

1.4811 (estimate)
[Fp ]

232-234°C
[storage temp. ]

2-8°C
[solubility ]

H2O: 0.1 g/mL, clear
[form ]

Crystalline Powder
[pka]

3.80(at 15℃)
[color ]

White to slightly yellow
[PH]

12 (100g/l, H2O, 20℃)
[Water Solubility ]

100 g/L (20 ºC)
[Sensitive ]

Hygroscopic
[Merck ]

14,9781
[BRN ]

80188
[Henry's Law Constant]

1.3×103 mol/(m3Pa) at 25℃, Du et al. (2017)
[InChI]

1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8+
[InChIKey]

CYHOMWAPJJPNMW-JIGDXULJSA-N
[SMILES]

CN1[C@H]2CC[C@@H]1C[C@H](O)C2
[LogP]

-0.100 (est)
[CAS DataBase Reference]

120-29-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Tropine(120-29-6)
[EPA Substance Registry System]

120-29-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H332
[Precautionary statements ]

P261-P264-P270-P271-P304+P340+P312-P501
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R26/28:Very Toxic by inhalation and if swallowed .
R20/22:Harmful by inhalation and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

1544
[WGK Germany ]

3
[RTECS ]

YM3875000
[F ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29399990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

cyclamen aldehyde-->Tropyl a ormulphenylacetate-->Flutropium bromide-->Lily aldehyde-->RETAPAMULIN-->ACETYLHOMATROPINE-->Tropisetron-->8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, hydrochloride (1:1), (3-endo)--->3-acetyltropine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Tropine(120-29-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white to slightly yellow crystalline powder
[Uses]

Tropine is an oxidative product of Tropane, used to synthesize alkaloid derivatives.
[Definition]

ChEBI: A derivative of tropane having a hydroxy group at the 3-position.
[Purification Methods]

Distil 3-tropanol in steam and crystallise it from Et2O or toluene/pet ether. It sublimes at 60o/0.1mm. Hygroscopic. The hydrochloride has m 280o (from EtOH/Et2O). [Beilstein 21 H 16, 21 I 197, 21 II 17, 21 III/IV 168, 21/1 V 219.]
Spectrum DetailBack Directory
[Spectrum Detail]

Tropine(120-29-6)MS
Tropine(120-29-6)1HNMR
Tropine(120-29-6)13CNMR
Tropine(120-29-6)IR1
Tropine(120-29-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Tropine, 98%(120-29-6)
[Alfa Aesar]

Tropine, 98%(120-29-6)
[Sigma Aldrich]

120-29-6(sigmaaldrich)
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