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77501-17-8

77501-17-8 | 2-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-HEPTANOL

CAS No: 77501-17-8 Catalog No: AG005TB9 MDL No:

Product Description

Catalog Number:
AG005TB9
Chemical Name:
2-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-HEPTANOL
CAS Number:
77501-17-8
Molecular Formula:
C10H20N2O
Molecular Weight:
184.2786
IUPAC Name:
2-(4,5-dihydro-1H-imidazol-2-yl)heptan-2-ol
InChI:
InChI=1S/C10H20N2O/c1-3-4-5-6-10(2,13)9-11-7-8-12-9/h13H,3-8H2,1-2H3,(H,11,12)
InChI Key:
KKCQSQKLENMSBY-UHFFFAOYSA-N
SMILES:
CCCCCC(C1=NCCN1)(O)C
NSC Number:
357507

Properties

Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.158g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.283g/mol
Monoisotopic Mass:
184.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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