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| CAS No.: | 62058-03-1 |
|---|---|
| Name: | Trans-4-Amino-1-hydroxy-adamantane |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C10H17NO |
| Molecular Weight: | 167.251 |
| Synonyms: | trans-4-Amino-1-hydroxyadamantane;Tricyclo[3.3.1.13,7]decan-1-ol, 4-amino-, (1R,2α,3S,5β,7α)-rel- (9CI); |
| EINECS: | 229-842-9 |
| Density: | 1.205 g/cm3 |
| Melting Point: | 230-235 °C |
| Boiling Point: | 275.619 °C at 760 mmHg |
| Flash Point: | 120.49 °C |
| PSA: | 46.25000 |
| LogP: | 1.58500 |
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Specification
The trans-4-Aminoadamantan-1-ol, with the CAS registry number 62058-03-1, is also known as trans-4-Amino-1-hydroxyadamantane. This chemical's molecular formula is C10H17NO and molecular weight is 167.25. What's more, its systematic name is (1R,3S)-4-Amino-1-adamantanol.
Physical properties of trans-4-Aminoadamantan-1-ol are: (1)ACD/LogP: 0.853; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.24; (4)ACD/LogD (pH 7.4): -1.95; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 47.266 cm3; (15)Molar Volume: 138.764 cm3; (16)Polarizability: 18.738×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.205 g/cm3; (19)Flash Point: 120.49 °C; (20)Enthalpy of Vaporization: 59.679 kJ/mol; (21)Boiling Point: 275.619 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1[C@H]2C[C@@]3(CC1CC(C3)C2N)O
(2)Std. InChI: InChI=1S/C10H17NO/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,12H,1-5,11H2/t6?,7-,8?,9?,10+/m0/s1
(3)Std. InChIKey: HMPCLMSUNVOZLH-XGFXJRETSA-N