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Name |
Cyclohexanol,2-(aminomethyl)-, (1S,2S)-rel- |
EINECS | 604-604-1 |
CAS No. | 28250-37-5 | Density | 1.007 g/cm3 |
PSA | 46.25000 | LogP | 1.19650 |
Solubility | N/A | Melting Point |
182-185 °C |
Formula | C7H15NO | Boiling Point | 226.4 °C at 760 mmHg |
Molecular Weight | 129.202 | Flash Point | 90.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 37/39-26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Cyclohexanol,2-(aminomethyl)-, cis- (8CI);cis-2-(Aminomethyl)-1-cyclohexanol;cis-2-(Aminomethyl)cyclohexanol; |
The Cyclohexanol,2-(aminomethyl)-, (1S,2S)-rel-, with the CAS registry number 28250-37-5, is also known as Cyclohexanol,2-(aminomethyl)-, cis- (8CI) and cis-2-(Aminomethyl)-1-cyclohexanol. This chemical's molecular formula is C7H15NO and molecular weight is 129.2001. What's more, its IUPAC name is (1S,2S)-2-(Aminomethyl)cyclohexan-1-ol hydrochloride.
Physical properties about Cyclohexanol,2-(aminomethyl)-, (1S,2S)-rel- are: (1) ACD/LogP: 0.18; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.91; (4) ACD/LogD (pH 7.4): -2.41; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 2; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 12.47 Å2; (13) Index of Refraction: 1.496; (14) Molar Refractivity: 37.48 cm3; (15) Molar Volume: 128.1 cm3; (16) Polarizability: 14.86×10-24 cm3; (17) Surface Tension: 39 dyne/cm; (18) Density: 1.007 g/cm3; (19) Flash Point: 90.7 °C; (20) Enthalpy of Vaporization: 53.83 kJ/mol; (21) Boiling Point: 226.4 °C at 760 mmHg; (22) Vapour Pressure: 0.0162 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O[C@H]1CCCC[C@H]1CN
(2) InChI: InChI=1/C7H15NO/c8-5-6-3-1-2-4-7(6)9/h6-7,9H,1-5,8H2/t6-,7-/m0/s1
(3) InChIKey: JGKFBZBVCAWDFD-BQBZGAKWBG