3-Aminohomopiperidine supplier

Name
(+/-)-3-AMINO-HOMOPIPERIDINE
EINECS 672-202-2
CAS No. 69154-03-6
Article Data5
CAS DataBase
Density 0.893 g/cm³
Solubility
Melting Point
Formula C₆H₁₄N₂
Boiling Point 180.9 °C at 760 mmHg
Molecular Weight 114.191
Flash Point 69.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-2,3,4,5,6,7-hexahydro-1H-azepine;3-Aminohexahydroazepine;3-Aminoperhydroazepine;Azepan-3-amine;Azepan-3-ylamine;
PSA 38.05000
LogP 1.11630

3-Aminohomopiperidine Specification

The IUPAC name of 3-Aminohomopiperidine is azepan-3-amine. With the CAS registry number 69154-03-6, it is also named as 1H-Azepin-3-amine, hexahydro-. In addition, its molecular formula is C₆H₁₄N₂ and molecular weight is 114.19.

The other characteristics of 3-Aminohomopiperidine can be summarized as: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.09; (4)ACD/LogD (pH 7.4): -3.34; (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: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 34.57 cm³; (15)Molar Volume: 127.7 cm³; (16)Polarizability: 13.7×10^-24cm³; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 0.893 g/cm³; (19)Flash Point: 69.6 °C; (20)Enthalpy of Vaporization: 41.72 kJ/mol; (21)Boiling Point: 180.9 °C at 760 mmHg; (22)Vapour Pressure: 0.875 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: NC1CCCCNC1
(2)InChI: InChI=1/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2
(3)InChIKey: WJUBYASTGWKFHK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2
(5)Std. InChIKey: WJUBYASTGWKFHK-UHFFFAOYSA-N

Product Name

(+/-)-3-AMINO-HOMOPIPERIDINE

3-Aminohomopiperidine Specification

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