Hexahydro-1H-azepin-4-ol supplier

Name
AZEPAN-4-OL
EINECS
CAS No. 39888-51-2
Density 0.983 g/cm³
Solubility
Melting Point
Formula C₆H₁₃NO
Boiling Point 203.7 °C at 760 mmHg
Molecular Weight 115.175
Flash Point 97.4 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Hydroxyhexamethylenimine;Azepan-4-ol;
PSA 32.26000
LogP 0.44960

Hexahydro-1H-azepin-4-ol Specification

The CAS register number of 1H-Azepin-4-ol,hexahydro- is 39888-51-2. It also can be called as Hexahydro-1H-azepin-4-ol and the IUPAC name about this chemical is azepan-4-ol. The molecular formula about this chemical is C₆H₁₃NO and the molecular weight is 115.17. It belongs to the Pharmacetical.

Physical properties about 1H-Azepin-4-ol,hexahydro- are: (1)ACD/LogP: -0.25; (2)ACD/LogD (pH 5.5): -3.35; (3)ACD/LogD (pH 7.4): -3.16; (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: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 12.47Å²; (12)Index of Refraction: 1.468; (13)Molar Refractivity: 32.6 cm³; (14)Molar Volume: 117.2 cm³; (15)Polarizability: 12.92x10^-24cm³; (16)Surface Tension: 32.4 dyne/cm; (17)Enthalpy of Vaporization: 51.18 kJ/mol; (18)Boiling Point: 203.7 °C at 760 mmHg; (19)Vapour Pressure: 0.0661 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC1CCCNCC1
(2)InChI: InChI=1/C6H13NO/c8-6-2-1-4-7-5-3-6/h6-8H,1-5H2
(3)InChIKey: JKYGZQCMFANMFM-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H13NO/c8-6-2-1-4-7-5-3-6/h6-8H,1-5H2
(5)Std. InChIKey: JKYGZQCMFANMFM-UHFFFAOYSA-N

Product Name

AZEPAN-4-OL

Hexahydro-1H-azepin-4-ol Specification

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