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| CAS No.: | 181657-56-7 |
|---|---|
| Name: | (1R,2R)-(-)-2-Benzyloxycyclopentylamine |
| Molecular Structure: | |
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|
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| Formula: | C12H17NO |
| Molecular Weight: | 191.273 |
| Synonyms: | Cyclopentanamine,2-(phenylmethoxy)-, (1R-trans)-;(1R,2R)-2-(Benzyloxy)cyclopentanamine;(R,R)-2-(Benzyloxy)cyclopentylamine;[(1R,2R)-2-(Benzyloxy)cyclopentyl]amine; |
| EINECS: | -0 |
| Density: | 1.056 g/cm3 |
| Melting Point: | 23℃ |
| Boiling Point: | 287.605 °C at 760 mmHg |
| Flash Point: | 123.914 °C |
| Solubility: | Not miscible or difficult to mix with water. |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-21/22 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2735 |
| PSA: | 35.25000 |
| LogP: | 2.78330 |
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Specification
The (1R,2R)-(-)-2-Benzyloxycyclopentylamine, with the CAS registry number 181657-56-7, has the systematic name of (1R,2R)-2-(benzyloxy)cyclopentanamine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C12H17NO.
The characteristics of (1R,2R)-(-)-2-Benzyloxycyclopentylamine are as followings: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.25 Å2; (7)Index of Refraction: 1.551; (8)Molar Refractivity: 57.812 cm3; (9)Molar Volume: 181.209 cm3; (10)Polarizability: 22.918×10-24cm3; (11)Surface Tension: 41.722 dyne/cm; (12)Density: 1.056 g/cm3; (13)Flash Point: 123.914 °C; (14)Enthalpy of Vaporization: 52.679 kJ/mol; (15)Boiling Point: 287.605 °C at 760 mmHg; (16)Vapour Pressure: 0.002 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful by inhalation and in contact with skin, and it may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. What's more, if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(Cc1ccccc1)[C@@H]2CCC[C@H]2N
(2)InChI: InChI=1/C12H17NO/c13-11-7-4-8-12(11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,13H2/t11-,12-/m1/s1
(3)InChIKey: JIMSXLUBRRQALI-VXGBXAGGBN