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18190-85-7

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Basic Information
CAS No.: 18190-85-7
Name: piperazine-1-methylamine
Molecular Structure:
Molecular Structure of 18190-85-7 (piperazine-1-methylamine)
Formula: C5H13N3
Molecular Weight: 115.1768
Synonyms: Piperazine,1-(aminomethyl)- (8CI);Piperazine-1-methylamine;
EINECS: 242-082-2
Density: 0.973 g/cm3
Boiling Point: 190.1 °C at 760 mmHg
Flash Point: 68.8 °C
PSA: 41.29000
LogP: -0.22520
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Specification

The CAS register number of Piperazine-1-methylamine is 18190-85-7. It also can be called as 1-Piperazinemethanamine and the IUPAC name about this chemical is piperazin-1-ylmethanamine. The molecular formula about this chemical is C5H13N3 and the molecular weight is 115.18.

Physical properties about Piperazine-1-methylamine are: (1)ACD/LogP: -0.58; (2)ACD/LogD (pH 5.5): -4.67; (3)ACD/LogD (pH 7.4): -3.98; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.72Å2; (12)Index of Refraction: 1.479; (13)Molar Refractivity: 33.59 cm3; (14)Molar Volume: 118.2 cm3; (15)Polarizability: 13.31x10-24cm3; (16)Surface Tension: 33.6 dyne/cm; (17)Enthalpy of Vaporization: 42.63 kJ/mol; (18)Boiling Point: 190.1 °C at 760 mmHg; (19)Vapour Pressure: 0.552 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCN1CCNCC1
(2)InChI: InChI=1/C5H13N3/c6-5-8-3-1-7-2-4-8/h7H,1-6H2
(3)InChIKey: GHAIYFTVRRTBNG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H13N3/c6-5-8-3-1-7-2-4-8/h7H,1-6H2
(5)Std. InChIKey: GHAIYFTVRRTBNG-UHFFFAOYSA-N