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67177-54-2 | 1H,2H,3H,4H,5H,11H,11aH-[1,4]diazepino[1,2-a]indole
CAS No: 67177-54-2 Catalog No: AG01BBXS MDL No:MFCD20661938
Product Description
Catalog Number:
AG01BBXS
Chemical Name:
1H,2H,3H,4H,5H,11H,11aH-[1,4]diazepino[1,2-a]indole
CAS Number:
67177-54-2
Molecular Formula:
C12H16N2
Molecular Weight:
188.2688
MDL Number:
MFCD20661938
IUPAC Name:
2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,2-a]indole
InChI:
InChI=1S/C12H16N2/c1-2-5-12-10(4-1)8-11-9-13-6-3-7-14(11)12/h1-2,4-5,11,13H,3,6-9H2
InChI Key:
KWCXBDNAWJYLHS-UHFFFAOYSA-N
SMILES:
C1NCC2N(CC1)c1c(C2)cccc1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.274g/mol
Monoisotopic Mass:
188.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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