CAS No.5227-53-2,1-ALLYL-2-(2-HYDROXYETHYL)THIOUREA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5227-53-2
Name:	1-ALLYL-2-(2-HYDROXYETHYL)THIOUREA
Article Data:	7

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