1,7-Diamidinoheptane supplier | CasNO.167276-68-8

Name
1,7-Diamidinoheptane
EINECS
CAS No. 167276-68-8
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₉H₂₀N₄
Boiling Point 316.1 °C at 760 mmHg
Molecular Weight 184.28
Flash Point 145 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,7-DIAMIDINOHEPTANE
PSA 99.74000
LogP 3.18910

1,7-Diamidinoheptane Specification

The 1,7-Diamidinoheptane is an organic compound with the formula C₉H₂₀N₄. The systematic name of this chemical is (1Z,9E)-nonanediimidamide. With the CAS registry number 167276-68-8, it is also named as N-[7-(2-Cyano-ethylamino)-heptyl]-guanidine.

Physical properties about 1,7-Diamidinoheptane are: (1)ACD/LogP: -0.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.7; (4)ACD/LogD (pH 7.4): -3.7; (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: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 31.2 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 51.67 cm³; (15)Molar Volume: 164.5 cm³; (16)Polarizability: 20.48×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 145 °C; (20)Enthalpy of Vaporization: 55.74 kJ/mol; (21)Boiling Point: 316.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000418 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [N@H]=C(N)CCCCCCCC(=[N@H])N
(2)InChI: InChI=1/C9H20N4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H3,10,11)(H3,12,13)
(3)InChIKey: VXVSKFUJWKPOTA-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H20N4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H3,10,11)(H3,12,13)
(5)Std. InChIKey: VXVSKFUJWKPOTA-UHFFFAOYSA-N

Product Name

1,7-Diamidinoheptane

1,7-Diamidinoheptane Specification

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