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50793-81-2 | Piperazine, 1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)- (9CI)
CAS No: 50793-81-2 Catalog No: AG00DHF2 MDL No:MFCD18836353
Product Description
Catalog Number:
AG00DHF2
Chemical Name:
Piperazine, 1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)- (9CI)
CAS Number:
50793-81-2
Molecular Formula:
C9H17N3O
Molecular Weight:
183.2508
MDL Number:
MFCD18836353
IUPAC Name:
4,4-dimethyl-2-piperazin-1-yl-5H-1,3-oxazole
InChI:
InChI=1S/C9H17N3O/c1-9(2)7-13-8(11-9)12-5-3-10-4-6-12/h10H,3-7H2,1-2H3
InChI Key:
NFJFORCNBOAANP-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)N1CCNCC1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.255g/mol
Monoisotopic Mass:
183.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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