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1225-55-4 | 5H-Dibenzo[a,d]cycloheptene-5-propanamine, N-methyl-, hydrochloride (1:1)
CAS No: 1225-55-4 Catalog No: AG0017C7 MDL No:
Product Description
Catalog Number:
AG0017C7
Chemical Name:
5H-Dibenzo[a,d]cycloheptene-5-propanamine, N-methyl-, hydrochloride (1:1)
CAS Number:
1225-55-4
Molecular Formula:
C19H22ClN
Molecular Weight:
299.8377
IUPAC Name:
N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3;1H
InChI Key:
OGQDIIKRQRZXJH-UHFFFAOYSA-N
SMILES:
CNCCCC1c2ccccc2C=Cc2c1cccc2.Cl
EC Number:
214-956-3
UNII:
44665V00O8
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.144g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.842g/mol
Monoisotopic Mass:
299.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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