1,4-Butanediamine,1-(2-pyridinyl)- supplier

Name
1-PYRIDIN-2-YLBUTANE-1,4-DIAMINE
EINECS
CAS No. 374064-05-8
Density 1.055 g/cm³
Solubility
Melting Point
Formula C₉H₁₅N₃
Boiling Point 318.3 °C at 760 mmHg
Molecular Weight 165.24
Flash Point 172.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols F; T
Synonyms 1-pyridin-2-ylbutane-1,4-diamine;1-(2-Pyridinyl)-1,4-butanediamine;1,4-butanediamine, 1-(2-pyridinyl)-;
PSA 64.93000
LogP 2.22090

1,4-Butanediamine,1-(2-pyridinyl)- Specification

The 1,4-Butanediamine,1-(2-pyridinyl)-, with the CAS registry number 374064-05-8, has the systematic name of 1-pyridin-2-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-(2-pyridinyl)- are as followings: (1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.69; (4)ACD/LogD (pH 7.4): -3.78; (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: n1ccccc1C(N)CCCN
(2)InChI: InChI=1/C9H15N3/c10-6-3-4-8(11)9-5-1-2-7-12-9/h1-2,5,7-8H,3-4,6,10-11H2
(3)InChIKey: JPEKECSPVXJPOL-UHFFFAOYAR

Product Name

1-PYRIDIN-2-YLBUTANE-1,4-DIAMINE

1,4-Butanediamine,1-(2-pyridinyl)- Specification

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