trans-4-Aminocyclohexanemethanol
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trans-4-Aminocyclohexanemethanol
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CAS No:
1467-84-1
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Formula:
C7H15NO
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Chemical Name:
trans-4-Aminocyclohexanemethanol
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Synonyms:
trans-4-Aminocyclohexanemethanol;(trans-4-Aminocyclohexyl)methanol;((1R,4r)-4-aMinocyclohexyl)Methanol;Cyclohexanemethanol,4-amino-,trans-
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CAS No:
Characteristics
46.2
0.1
0.974±0.06 g/cm3(Predicted)
146-148'C
218.8±13.0 °C(Predicted)
86.1±19.8 °C
1.477
H2O: Freely soluble (160 g/L) (25 ºC)
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
trans-4-Aminocyclohexanemethanol Use and Manufacturing
Intermediate 17. (trans-4-aminocyclohexyl)methanol A suspension of ethyl trans-4-aminocyclohexanecarboxylate (Intermediate 16; 7.2g, 0.034mol) in THF (200ml_) was added to lithium aluminium hydride (69ml_ of a 1 M solution in THF, 0.069mmol) at 0°C, and stirred 1 h at this temperature. The ice bath was then removed and the mixture was stirred at room temperature overnight. The stirred mixture was cooled in an ice bath and very carefully water (6.9ml_), 15percent NaOH (21 mL) and water (21 mL) were added slowly. After stirring 30 minutes at room temperature the mixture was filtered through a thin layer (1 cm) of Celite and the filter cake was washed with THF. The combined filtrate and washings were evaporated to give a white solid as the title compound (4.4g, 99percent). 1 H NMR (300 MHz, dmso) δ 3.18 (d, J = 6.3 Hz, 2H), 2.42 (m, 1 H), 1.79 - 1.60 (m, 4H), 1 .30 - 1.13 (m, 1 H), 1.05 - 0.72 (m, 4H).REFERENCE SYNTHETIC
Metabolites of 1-(2-chloroethyl)-3-(trans-4-methylcyclohexyl)-1-nitrosourea (Me CCNU)
Computed Properties
Molecular Weight:129.20
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:129.115364102
Monoisotopic Mass:129.115364102
Topological Polar Surface Area:46.2
Heavy Atom Count:9
Complexity:77
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Business licensedTrader Supplier of pharmaceutical intermediates,excipients,plant extracts,food additives,CDMO,fine cheimcals,Octadecanedioic acid,Eicosanedioic AcidInquiryCAS No.: 1467-84-1Grade: Pharmaceutical GradeContent: 99%
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trans-4-Aminocyclohexanemethanol
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