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81066-72-0 | 2-tert-butyl-4,5-dihydro-1H-imidazole
CAS No: 81066-72-0 Catalog No: AG00J79R MDL No:MFCD15146541
Product Description
Catalog Number:
AG00J79R
Chemical Name:
2-tert-butyl-4,5-dihydro-1H-imidazole
CAS Number:
81066-72-0
Molecular Formula:
C7H14N2
Molecular Weight:
126.1995
MDL Number:
MFCD15146541
IUPAC Name:
2-tert-butyl-4,5-dihydro-1H-imidazole
InChI:
InChI=1S/C7H14N2/c1-7(2,3)6-8-4-5-9-6/h4-5H2,1-3H3,(H,8,9)
InChI Key:
BYDVQPRXDZABPW-UHFFFAOYSA-N
SMILES:
CC(C1=NCCN1)(C)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.116g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.203g/mol
Monoisotopic Mass:
126.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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