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| CAS No.: | 5227-53-2 |
|---|---|
| Name: | 1-ALLYL-2-(2-HYDROXYETHYL)THIOUREA |
| Molecular Structure: | |
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| Formula: | C7H13NO2 |
| Molecular Weight: | 143.186 |
| Synonyms: | Azepine-2-carboxylicacid, hexahydro- (7CI);Hexahydro-1H-azepine-2-carboxylic acid;Hexahydroazepine-2-carboxylic acid;NSC 86359;Azocane-2-carboxylic acid; |
| Density: | 1.08 g/cm3 |
| Melting Point: | 208-209℃ |
| Boiling Point: | 280.9 °C at 760 mmHg |
| Flash Point: | 123.7 °C |
| PSA: | 49.33000 |
| LogP: | 0.93200 |
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Specification
The CAS register number of 1H-Azepine-2-carboxylicacid, hexahydro- is 5227-53-2. It also can be called as Hexahydroazepine-2-carboxylic acid and the systematic name about this chemical is azepane-2-carboxylic acid. The molecular formula about this chemical is C7H13NO2 and the molecular weight is 143.1836.
Physical properties about 1H-Azepine-2-carboxylicacid, hexahydro- are: (1)ACD/LogP: 0.56; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 29.54 Å2; (10)Index of Refraction: 1.472; (11)Molar Refractivity: 37.12 cm3; (12)Molar Volume: 132.4 cm3; (13)Polarizability: 14.71x10-24cm3; (14)Surface Tension: 38.1 dyne/cm; (15)Density: 1.08 g/cm3; (16)Flash Point: 123.7 °C; (17)Enthalpy of Vaporization: 57.19 kJ/mol; (18)Boiling Point: 280.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000973 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1NCCCCC1
(2)InChI: InChI=1/C7H13NO2/c9-7(10)6-4-2-1-3-5-8-6/h6,8H,1-5H2,(H,9,10)
(3)InChIKey: OPFURXRZISKMJV-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H13NO2/c9-7(10)6-4-2-1-3-5-8-6/h6,8H,1-5H2,(H,9,10)
(5)Std. InChIKey: OPFURXRZISKMJV-UHFFFAOYSA-N