The 3-Azido-1,2-Propanediol, with the CAS registry number 73018-98-1, has the systematic name and IUPAC name of 3-azidopropane-1,2-diol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C3H7N3O2.
The characteristics of 3-Azido-1,2-Propanediol are as followings: (1)ACD/LogP: -1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.05; (4)ACD/LogD (pH 7.4): -1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.36; (8)ACD/KOC (pH 7.4): 6.36; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 30.82 Å2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [N-]=[N+]=N\CC(O)CO
(2)InChI: InChI=1/C3H7N3O2/c4-6-5-1-3(8)2-7/h3,7-8H,1-2H2
(3)InChIKey: HTTNJQAFJLVWCN-UHFFFAOYAD
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