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69363-09-3

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Basic Information
CAS No.: 69363-09-3
Name: (1S,2S,3R,5S)-3-Amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
Article Data: 4
Molecular Structure:
Molecular Structure of 69363-09-3 ((1S,2S,3R,5S)-3-Amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol)
Formula: C10H19NO
Molecular Weight: 169.267
Synonyms: Bicyclo[3.1.1]heptan-2-ol,3-amino-2,6,6-trimethyl-, [1S-(1a,2a,3a,5a)]-;(1S,2S,3R,5S)-3-Amino-2-hydroxypinane;(1S,2S,3R,5S)-3-amino-2,6,6-trimethyl-norpinan-2-ol;bicyclo[3.1.1]heptan-2-ol, 3-amino-2,6,6-trimethyl-, (1S,2S,3R,5S)-;
Density: 1.016 g/cm3
Boiling Point: 239.502 °C at 760 mmHg
Flash Point: 98.648 °C
PSA: 46.25000
LogP: 1.83100
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    (1S,2S,3R,5S)-3-Amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol Basic information Product Name: (1S,2S,3R,5S)-3-Amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol Synonyms: (1S,2S,3R,5S)-3-Amino-2,6,6-trimethylbicyc

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Specification

The (1S,2S,3R,5S)-3-Amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol, with the CAS registry number 69363-09-3, has the systematic name of (1S,2S,3R,5S)-3-amino-2,6,6-trimethyl-norpinan-2-ol. It belongs to the product category of Chiral Reagents. And the molecular formula of the chemical is C10H19NO.

The characteristics of (1S,2S,3R,5S)-3-Amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol are as followings: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (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: 2; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 49.413 cm3; (15)Molar Volume: 166.608 cm3; (16)Polarizability: 19.589×10-24cm3; (17)Surface Tension: 37.525 dyne/cm; (18)Density: 1.016 g/cm3; (19)Flash Point: 98.648 °C; (20)Enthalpy of Vaporization: 55.366 kJ/mol; (21)Boiling Point: 239.502 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC1(C2CC1C(C(C2)N)(C)O)C
(2)InChI: InChI=1/C10H19NO/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,12H,4-5,11H2,1-3H3/t6-,7-,8+,10-/m0/s1
(3)InChIKey: LGVDAZQPWJBBGX-OORONAJNBX