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516493-93-9

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Basic Information
CAS No.: 516493-93-9
Name: 17-Azido-3,6,9,12,15-pentaoxaheptadecan-1-amine
Molecular Structure:
Molecular Structure of 516493-93-9 (17-Azido-3,6,9,12,15-pentaoxaheptadecan-1-amine)
Formula: C12H26N4O5
Molecular Weight: 306.362
Synonyms: 17-azide-3,6,9,12,15-pentaoxaheptadecan-1-amine;Azido-PEG5-Amine;17-azido-3,6,9,12,15-pentaoxaheptadecanamine;17-azido-3,6,9,12,15-pentaoxa-1-heptadecylamine;5-PEG amino azide;1-amino-17-azido-3,6,9,12,15-pentaoxaheptadecane;17-AZIDO-3,6,9,12,15-PENTAOXAHEPTADECAN-1-AMINE;
Density: 1.10 g/mL
PSA: 121.92000
LogP: 0.49146
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Specification

With the CAS registry number 516493-93-9, the systematic name of 17-Azido-3,6,9,12,15-pentaoxaheptadecan-1-amine is 17-Azido-3,6,9,12,15-pentaoxaheptadecan-1-amine. In addition, its molecular formula is C12H26N4O5 and its molecular weight is 306.36. 

The other characteristics of 17-Azido-3,6,9,12,15-pentaoxaheptadecan-1-amine can be summarized as: (1)ACD/LogP: -1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 9; (8)H bond donors: 2; (9)Freely Rotating Bonds: 18; (10)Polar Surface Area: 84.53 Å2; (11)Nominal mass: 306; (12)Average mass: 306.3586; (13)Monoisotopic mass: 306.19032.

People can use the following data to convert to the molecule structure.
(1)SMILES:NCCOCCOCCOCCOCCOCC\N=[N+]=[N-]
(2)InChI:InChI=1/C12H26N4O5/c13-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-16-14/h1-13H2
(3)InChIKey:SVPBRIZYFJFLOL-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/C12H26N4O5/c13-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-16-14/h1-13H2
(5)Std. InChIKey:SVPBRIZYFJFLOL-UHFFFAOYSA-N