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1586-10-3 | 5H-Dibenzo[a,d]cyclohepten-10-amine, 10,11-dihydro-, hydrochloride (1:1)
CAS No: 1586-10-3 Catalog No: AG001QC3 MDL No:
Product Description
Catalog Number:
AG001QC3
Chemical Name:
5H-Dibenzo[a,d]cyclohepten-10-amine, 10,11-dihydro-, hydrochloride (1:1)
CAS Number:
1586-10-3
Molecular Formula:
C15H16ClN
Molecular Weight:
245.7472
IUPAC Name:
9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylazanium;chloride
InChI:
InChI=1S/C15H15N.ClH/c16-15-10-12-6-2-1-5-11(12)9-13-7-3-4-8-14(13)15;/h1-8,15H,9-10,16H2;1H
InChI Key:
WDGQNNMGINPRQL-UHFFFAOYSA-N
SMILES:
NC1Cc2ccccc2Cc2c1cccc2.Cl
EC Number:
216-444-5
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.75g/mol
Monoisotopic Mass:
245.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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