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887591-13-1

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Basic Information
CAS No.: 887591-13-1
Name: 3-METHOXY-PYRROLIDIN-1-YLAMINE
Molecular Structure:
Molecular Structure of 887591-13-1 (3-METHOXY-PYRROLIDIN-1-YLAMINE)
Formula: C5H12N2O
Molecular Weight: 116.16
Synonyms: 3-METHOXY-PYRROLIDIN-1-YLAMINE;1-Amino-3-methoxypyrrolidine;1-PyrrolidinaMine, 3-Methoxy-;3-Methoxypyrrolidin-1-aMine
Density: 1.057g/cm3
Boiling Point: 153.718 °C at 760 mmHg
Flash Point: 46.767 °C
PSA: 38.49000
LogP: 0.21900
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Specification

The 1-Pyrrolidinamine,3-methoxy-, with CAS registry number 887591-13-1, has the systematic name of 3-methoxypyrrolidin-1-amine. Besides this, it is also called 3-Methoxy-pyrrolidin-1-ylamine. Its molecular weight is 116.16. And the chemical formula of this chemical is C5H12N2O.

Physical properties of 1-Pyrrolidinamine,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): 1.529; (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: 1.501; (11)Molar Refractivity: 32.371 cm3; (12)Molar Volume: 109.932 cm3; (13)Polarizability: 12.833×10-24cm3; (14)Surface Tension: 39.151 dyne/cm; (15)Density: 1.057 g/cm3; (16)Flash Point: 46.767 °C; (17)Enthalpy of Vaporization: 39.05 kJ/mol; (18)Boiling Point: 153.718 °C at 760 mmHg; (19)Vapour Pressure: 3.289 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC1CCN(C1)N
(2)InChI: InChI=1/C5H12N2O/c1-8-5-2-3-7(6)4-5/h5H,2-4,6H2,1H3
(3)InChIKey: LEGLCGJGHWSXDJ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H12N2O/c1-8-5-2-3-7(6)4-5/h5H,2-4,6H2,1H3
(5)Std. InChIKey: LEGLCGJGHWSXDJ-UHFFFAOYSA-N