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Cas Database |
| Name |
trans-2-Benzylamino-1-cyclohexanol |
EINECS | N/A |
| CAS No. | 40571-86-6 | Density | 1.06g/cm3 |
| PSA | 32.26000 | LogP | 2.47060 |
| Solubility | N/A | Melting Point |
69-72 ºC |
| Formula | C13H19NO | Boiling Point | 339.2°C at 760 mmHg |
| Molecular Weight | 205.3 | Flash Point | 118.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | S24/25 | Risk Codes | 11-36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cyclohexanol,2-[(phenylmethyl)amino]-, trans-;trans-2-(Benzylamino)-1-cyclohexanol; |
Article Data | 35 |
trans-2-Benzylamino-1-cyclohexanol Specification
The trans-2-Benzylamino-1-cyclohexanol with the cas number 40571-86-6, is also called trans-2-(Benzylamino)cyclohexanol. The IUPAC name is (1R,2R)-2-(benzylamino)cyclohexan-1-ol. Its molecular formula is C13H19NO.The product category of this chemical is pharmacetical.
Properties Computed from Structure: (1)XLogP3-AA: 1.9; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 3; (5)Exact Mass: 205.146664; (6)MonoIsotopic Mass: 205.146664; (7)Topological Polar Surface Area: 32.3; (8)Heavy Atom Count: 15; (9)Formal Charge: 0; (10)Complexity: 177; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 2; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(C(C1)NCC2=CC=CC=C2)O
(2)InChI: InChI=1S/C13H19NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m1/s1
(3)InChIKey: NJNCYFUGUYIMEQ-CHWSQXEVSA-N
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