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887591-22-2

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Basic Information
CAS No.: 887591-22-2
Name: 3-METHOXY-PIPERIDIN-1-YLAMINE
Molecular Structure:
Molecular Structure of 887591-22-2 (3-METHOXY-PIPERIDIN-1-YLAMINE)
Formula: C6H14N2O
Molecular Weight: 130.19
Synonyms: 3-METHOXY-PIPERIDIN-1-YLAMINE;1-Amino-3-methoxypiperidine
Density: 1.029 g/cm3
Boiling Point: 178.603 °C at 760 mmHg
Flash Point: 61.817 °C
PSA: 38.49000
LogP: 0.60910
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Specification

The 1-Piperidinamine,3-methoxy-, with CAS registry number 887591-22-2, has the systematic name of 3-methoxypiperidin-1-amine. Besides this, it is also called 1-Amino-3-methoxypiperidine. Its molecular weight is 130.19. And the chemical formula of this chemical is C6H14N2O.

Physical properties of 1-Piperidinamine,3-methoxy-: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2.336; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 38.49 Å2; (10)Index of Refraction: 1.497; (11)Molar Refractivity: 37.002 cm3; (12)Molar Volume: 126.552 cm3; (13)Polarizability: 14.669×10-24cm3; (14)Surface Tension: 38.414 dyne/cm; (15)Density: 1.029 g/cm3; (16)Flash Point: 61.817 °C; (17)Enthalpy of Vaporization: 41.489 kJ/mol; (18)Boiling Point: 178.603 °C at 760 mmHg; (19)Vapour Pressure: 0.981 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC1CCCN(C1)N
(2)InChI: InChI=1/C6H14N2O/c1-9-6-3-2-4-8(7)5-6/h6H,2-5,7H2,1H3
(3)InChIKey: JPRZNBBLIHJKQT-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H14N2O/c1-9-6-3-2-4-8(7)5-6/h6H,2-5,7H2,1H3
(5)Std. InChIKey: JPRZNBBLIHJKQT-UHFFFAOYSA-N