4-(tert-Butyl)piperidine hydrochloride supplier

Name
4-(tert-Butyl)piperidine hydrochloride
EINECS
CAS No. 69682-13-9
Article Data3
CAS DataBase
Density
Solubility
Melting Point 302 °C
Formula C₉H₂₀ClN
Boiling Point 179.7 °C at 760 mmHg
Molecular Weight 177.717
Flash Point 54.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(TERT-BUTYL)PIPERIDINE HYDROCHLORIDE;4-(Tert-butyl)piperidineHCl;Piperidine, 4-(1,1-dimethylethyl)-, hydrochloride (1:1)
PSA 12.03000
LogP 3.16290

4-(tert-Butyl)piperidine hydrochloride Specification

The 4-(tert-Butyl)piperidine hydrochloride, with the CAS registry number 69682-13-9, is also named as piperidine, 4-(1,1-dimethylethyl)-, hydrochloride (1:1). Moreover, its molecular formula is C₉H₂₀ClN and its molecular weight is 177.71.

Other characteristics of the 4-(tert-Butyl)piperidine hydrochloride can be summarised as followings: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -0.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Flash Point: 54.9 °C; (14)Enthalpy of Vaporization: 41.59 kJ/mol; (15)Boiling Point: 179.7 °C at 760 mmHg; (16)Vapour Pressure: 0.931 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.N1CCC(C(C)(C)C)CC1
2.InChI: InChI=1/C9H19N.ClH/c1-9(2,3)8-4-6-10-7-5-8;/h8,10H,4-7H2,1-3H3;1H
3.InChIKey: RWQQDIHTYQYXDX-UHFFFAOYAQ

Product Name

4-(tert-Butyl)piperidine hydrochloride

4-(tert-Butyl)piperidine hydrochloride Specification

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