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1216067-81-0 | "[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]amine"
CAS No: 1216067-81-0 Catalog No: AG01FMIS MDL No:MFCD12403707
Product Description
Catalog Number:
AG01FMIS
Chemical Name:
"[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]amine"
CAS Number:
1216067-81-0
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD12403707
IUPAC Name:
4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)aniline
InChI:
InChI=1S/C12H13N3/c13-10-5-3-9(4-6-10)11-8-14-12-2-1-7-15(11)12/h3-6,8H,1-2,7,13H2
InChI Key:
RRMMCGMXQHDGEE-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1cnc2n1CCC2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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