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374064-04-7

Basic Information
CAS No.: 374064-04-7
Name: 1-PYRIDIN-3-YLBUTANE-1,4-DIAMINE
Molecular Structure:
Molecular Structure of 374064-04-7 (1-PYRIDIN-3-YLBUTANE-1,4-DIAMINE)
Formula: C9H15N3
Molecular Weight: 165.2355
Synonyms: 1-pyridin-3-ylbutane-1,4-diamine;1-(3-Pyridinyl)-1,4-butanediamine;1-(3-Pyridinyl)-1,4-butandiamin;1,4-butanediamine, 1-(3-pyridinyl)-;
Density: 1.055 g/cm3
Boiling Point: 318.3 °C at 760 mmHg
Flash Point: 172.2 °C
Hazard Symbols: FlammableF; ToxicT
PSA: 64.93000
LogP: 2.22090
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Specification

The 1,4-Butanediamine,1-(3-pyridinyl)-, with the CAS registry number 374064-04-7, has the systematic name of 1-pyridin-3-ylbutane-1,4-diamine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H15N3.

The characteristics of 1,4-Butanediamine,1-(3-pyridinyl)- are as followings: (1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.7; (4)ACD/LogD (pH 7.4): -4; (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: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 19.37 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 50.23 cm3; (15)Molar Volume: 156.5 cm3; (16)Polarizability: 19.91×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Density: 1.055 g/cm3; (19)Flash Point: 172.2 °C; (20)Enthalpy of Vaporization: 55.98 kJ/mol; (21)Boiling Point: 318.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000364 mmHg at 25°C.
   
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1cccc(c1)C(N)CCCN
(2)InChI: InChI=1/C9H15N3/c10-5-1-4-9(11)8-3-2-6-12-7-8/h2-3,6-7,9H,1,4-5,10-11H2
(3)InChIKey: LGHCAIYBGGPNPE-UHFFFAOYAN