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52461-56-0 | 1H,2H,3H,4H,5H-[1,4]diazepino[1,2-a]indole hydrochloride
CAS No: 52461-56-0 Catalog No: AG01BBEL MDL No:MFCD28505978
Product Description
Catalog Number:
AG01BBEL
Chemical Name:
1H,2H,3H,4H,5H-[1,4]diazepino[1,2-a]indole hydrochloride
CAS Number:
52461-56-0
Molecular Formula:
C12H15ClN2
Molecular Weight:
222.7139
MDL Number:
MFCD28505978
IUPAC Name:
2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole;hydrochloride
InChI:
InChI=1S/C12H14N2.ClH/c1-2-5-12-10(4-1)8-11-9-13-6-3-7-14(11)12;/h1-2,4-5,8,13H,3,6-7,9H2;1H
InChI Key:
HTKXSTCENUXAGL-UHFFFAOYSA-N
SMILES:
C1NCc2n(CC1)c1c(c2)cccc1.Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.716g/mol
Monoisotopic Mass:
222.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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