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1-Propanol,2,2'-(1,2-ethanediyldiimino)bis[2-methyl- (9CI) 5434-95-7 98%
【Name】
1-Propanol,2,2'-(1,2-ethanediyldiimino)bis[2-methyl- (9CI)
【CAS Registry number】
5434-95-7
【Synonyms】
Bis(1-hydroxy-2,2-dimethylethyl)ethylenediamine
N,N'-Bis(2-hydroxy-1,1-dimethylethyl)ethylenediamine
NSC 15141
【Molecular Formula】
C10H24 N2 O2 (Products with the same molecular formula)
【Molecular Weight】
204.3098
【Inchi】
InChI=1/C10H24N2O2/c1-9(2,7-13)11-5-6-12-10(3,4)8-14/h11-14H,5-8H2,1-4H3
【Canonical SMILES】
CC(C)(CO)NCCNC(C)(C)CO
Chemical and Physical Properties
【Density】
0.99g/cm3
【Boiling Point】
333.1°Cat760mmHg
【Refractive Index】
1.479
【Flash Point】
104.7°C
【Computed Properties】
Molecular Weight:204.30976 [g/mol]
Molecular Formula:C10H24N2O2
XLogP3-AA:-0.8
H-Bond Donor:4
H-Bond Acceptor:4
Rotatable Bond Count:7
Exact Mass:204.183778
MonoIsotopic Mass:204.183778
Topological Polar Surface Area:64.5
Heavy Atom Count:14
Formal Charge:0
Complexity:140
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:4
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:2
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:25
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