1,6-Heptadien-4-ol,4-(1-amino-2-methylpropyl)- supplier

Name
4-(1-AMINO-2-METHYL-PROPYL)-HEPTA-1,6-DIEN-4-OL
EINECS
CAS No. 315248-94-3
Density 0.906 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₁NO
Boiling Point 278.2 °C at 760 mmHg
Molecular Weight 184.2979
Flash Point 122.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(1-amino-2-methylpropyl)hepta-1,6-dien-4-ol;1,6-Heptadien-4-ol, 4-(1-amino-2-methylpropyl)-;
PSA 46.25000
LogP 2.55330

1,6-Heptadien-4-ol,4-(1-amino-2-methylpropyl)- Specification

The 1,6-Heptadien-4-ol,4-(1-amino-2-methylpropyl)-, with the CAS registry number 315248-94-3, has the systematic name of 4-(1-amino-2-methylpropyl)hepta-1,6-dien-4-ol. It is a kind of irritant chemical, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₁H₂₁NO.

The characteristics of 1,6-Heptadien-4-ol,4-(1-amino-2-methylpropyl)- are as followings: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): 0.21; (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): 2.84; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 57.41 cm³; (15)Molar Volume: 202.2 cm³; (16)Polarizability: 22.76×10^-24cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 0.906 g/cm³; (19)Flash Point: 122.1 °C; (20)Enthalpy of Vaporization: 59.99 kJ/mol; (21)Boiling Point: 278.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000528 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(C/C=C)(C\C=C)C(N)C(C)C
(2)InChI: InChI=1/C11H21NO/c1-5-7-11(13,8-6-2)10(12)9(3)4/h5-6,9-10,13H,1-2,7-8,12H2,3-4H3
(3)InChIKey: GFFSZZBAUXRZQZ-UHFFFAOYAU

Product Name

4-(1-AMINO-2-METHYL-PROPYL)-HEPTA-1,6-DIEN-4-OL

1,6-Heptadien-4-ol,4-(1-amino-2-methylpropyl)- Specification

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