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853881-01-3

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Basic Information
CAS No.: 853881-01-3
Name: (4R-cis)-6-Aminomethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester
Article Data: 2
Molecular Structure:
Molecular Structure of 853881-01-3 ((4R-cis)-6-Aminomethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester)
Formula: C13H25NO4
Molecular Weight: 259.346
Synonyms: (4R-cis)-6-Aminomethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester;6-Amino-2,4,6-trideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexonic Acid 1,1-Dimethylethyl Ester;
Density: 1.001 g/cm3
Melting Point: 95.9 °C
Boiling Point: 323.8 °C at 760 mmHg
PSA: 70.78000
LogP: 2.28740
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Specification

The CAS register number of D-erythro-Hexonic acid,6-amino-2,4,6-trideoxy-3,5-O-(1-methylethylidene)-, 1,1-dimethylethyl ester is 853881-01-3. It also can be called as 6-Amino-2,4,6-trideoxy-3,5-O-(1-methylethylidene)-D-erythro-hexonic Acid 1,1-Dimethylethyl Ester and the systematic name about this chemical is tert-butyl 2-[(4R,6S)-6-(aminomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate. The molecular formula about this chemical is C13H25NO4 and the molecular weight is 259.3419. It belongs to the following product categories which include Chemical Amines; Amines; Chiral Reagents; Heterocycles; Inhibitors and so on.

Physical properties about D-erythro-Hexonic acid,6-amino-2,4,6-trideoxy-3,5-O-(1-methylethylidene)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.37; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 70.78 Å2; (6)Index of Refraction: 1.444; (7)Molar Refractivity: 68.8 cm3; (8)Molar Volume: 258.8 cm3; (9)Polarizability: 27.27x10-24cm3; (10)Surface Tension: 34.8 dyne/cm; (11)Density: 1.001 g/cm3; (12)Flash Point: 95.9 °C; (13)Enthalpy of Vaporization: 56.57 kJ/mol; (14)Boiling Point: 323.8 °C at 760 mmHg; (15)Vapour Pressure: 0.000257 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(OC(CC(O1)CN)CC(=O)OC(C)(C)C)C
(2)InChI: InChI=1/C13H25NO4/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10H,6-8,14H2,1-5H3/t9-,10+/m1/s1
(3)InChIKey: RGJXYBVLMLBZQV-ZJUUUORDBM
(4)Std. InChI: InChI=1S/C13H25NO4/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10H,6-8,14H2,1-5H3/t9-,10+/m1/s1
(5)Std. InChIKey: RGJXYBVLMLBZQV-ZJUUUORDSA-N