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2939-66-4 | 5H-Dibenzo[a,d]cyclohepten-5-ol, 10,11-dihydro-5-[3-(methylamino)propyl]-
CAS No: 2939-66-4 Catalog No: AG002Y9F MDL No:
Product Description
Catalog Number:
AG002Y9F
Chemical Name:
5H-Dibenzo[a,d]cyclohepten-5-ol, 10,11-dihydro-5-[3-(methylamino)propyl]-
CAS Number:
2939-66-4
Molecular Formula:
C19H23NO
Molecular Weight:
281.3920
IUPAC Name:
2-[3-(methylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
InChI:
InChI=1S/C19H23NO/c1-20-14-6-13-19(21)17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)19/h2-5,7-10,20-21H,6,11-14H2,1H3
InChI Key:
VGYXEZXCFKVWAP-UHFFFAOYSA-N
SMILES:
CNCCCC1(O)c2ccccc2CCc2c1cccc2
EC Number:
220-926-0
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.399g/mol
Monoisotopic Mass:
281.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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