trans-5-Amino-6-hydroxy-2,2-dimethyl-1,3-dioxacyloheptane supplier

Name
trans-5-Amino-6-hydroxy-2,2-dimethyl-1,3-dioxacyloheptane
EINECS 419-050-3
CAS No. 79944-37-9
Article Data4
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point
Formula C₇H₁₅NO₃
Boiling Point 266.345 °C at 760 mmHg
Molecular Weight 161.201
Flash Point 114.881 °C
Transport Information
Appearance
Safety 22-24/25-26-37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms 1,3-Dioxepan-5-ol,6-amino-2,2-dimethyl-, trans- (9CI);trans-5-Amino-6-hydroxy-2,2-dimethyl-1,3-dioxacyloheptane;
PSA 64.71000
LogP 0.15780

trans-5-Amino-6-hydroxy-2,2-dimethyl-1,3-dioxacyloheptane Specification

The trans-5-Amino-6-hydroxy-2,2-dimethyl-1,3-dioxacyloheptane, with the CAS registry number 79944-37-9 and EINECS registry number 419-050-3, has the systematic name of (5R,6S)-6-amino-2,2-dimethyl-1,3-dioxepan-5-ol. And the molecular formula of the chemical is C₇H₁₅NO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 64.71 Å²; (7)Index of Refraction: 1.458; (8)Molar Refractivity: 40.734 cm³; (9)Molar Volume: 149.251 cm³; (10)Polarizability: 16.148×10^-24cm³; (11)Surface Tension: 37.388 dyne/cm; (12)Density: 1.08 g/cm³; (13)Flash Point: 114.881 °C; (14)Enthalpy of Vaporization: 58.563 kJ/mol; (15)Boiling Point: 266.345 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause sensitization by skin contact. Therefore, you had better take the following instructions: Do not breathe dust; Avoid contact with skin and eyes; In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; Wear suitable gloves.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O[C@@H]1[C@@H](N)COC(OC1)(C)C
(2)InChI: InChI=1/C7H15NO3/c1-7(2)10-3-5(8)6(9)4-11-7/h5-6,9H,3-4,8H2,1-2H3/t5-,6-/m0/s1
(3)InChIKey: BXRMFUZPBYHYSM-WDSKDSINBV

Product Name

trans-5-Amino-6-hydroxy-2,2-dimethyl-1,3-dioxacyloheptane

trans-5-Amino-6-hydroxy-2,2-dimethyl-1,3-dioxacyloheptane Specification

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