CAS No.1197-54-2,(4-Amino-cyclohexyl)-acetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1197-54-2
Name:	(4-Amino-cyclohexyl)-acetic acid
Article Data:	2

Formula:	C₈H₁₅NO₂
Molecular Weight:	157.213
Synonyms:	4-Aminocyclohexaneaceticacid;(4-Aminocyclohexyl)acetic acid;2-(4-Aminocyclohexyl)acetic acid;Acetic acid, trans-4-aminocyclohexyl-;AC1L6WIA;CID300537;AG-D-42889;
Density:	1.075 g/cm³
Boiling Point:	301.3 °C at 760 mmHg
Flash Point:	136 °C
PSA:	63.32000
LogP:	1.67890

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Specification

The Cyclohexaneacetic acid,4-amino- with CAS registry number of 1197-54-2 is also known as (4-Aminocyclohexyl)acetic acid. The IUPAC name is 2-(4-Aminocyclohexyl)acetic acid. In addition, the formula is C₈H₁₅NO₂ and the molecular weight is 157.21.

Physical properties about Cyclohexaneacetic acid,4-amino- are: (1)ACD/LogP: 0.32; (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: 3; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.487; (10)Molar Refractivity: 42.11 cm³; (11)Molar Volume: 146.2 cm³; (12)Surface Tension: 43.7 dyne/cm; (13)Density: 1.075 g/cm³; (14)Flash Point: 136 °C; (15)Enthalpy of Vaporization: 59.56 kJ/mol; (16)Boiling Point: 301.3 °C at 760 mmHg; (17)Vapour Pressure: 0.000249 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)CC1CCC(N)CC1
2. InChI: InChI=1/C8H15NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7H,1-5,9H2,(H,10,11)
3. InChIKey: XVDSFSRMHSDHGJ-UHFFFAOYAQ
4. Std. InChI: InChI=1S/C8H15NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h6-7H,1-5,9H2,(H,10,11)
5. Std. InChIKey: XVDSFSRMHSDHGJ-UHFFFAOYSA-N