AG0021VI

18029-54-4 | 5H-Dibenzo[a,d]cyclohepten-5-ol, 5-[3-(dimethylamino)propyl]-

AG0021VI

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CAS Number	18029-54-4
Catalog Number	AG0021VI(AGN-PC-0JLWS3)
Chemical Name	5H-Dibenzo[a,d]cyclohepten-5-ol, 5-[3-(dimethylamino)propyl]-
EC Number	241-944-5
IUPAC Name	2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
InChI	InChI=1S/C20H23NO/c1-21(2)15-7-14-20(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-13,22H,7,14-15H2,1-2H3
InChI Key	VMLRQKQUOMJJAN-UHFFFAOYSA-N
MDL Number	MFCD01927774
Molecular Formula	C20H23NO
Molecular Weight	293.4027
SMILES	OC1(CCCN(C)C)C2=CC=CC=C2C=CC3=CC=CC=C13
Synonyms	18029-54-4, 5-(3-(Dimethylamino)propyl)-5H-dibenzo[a,d][7]annulen-5-ol, 5-[3-(dimethylamino)propyl]-5H-dibenzo[a,d]cyclohepten-5-ol, 5-(3-(Dimethylamino)propyl)-5H-dibenzo(a,d)cyclohepten-5-ol, 5H-Dibenzo[a,d]cyclohepten-5-ol, 5-[3-(dimethylamino)propyl]-, 5-[3-(dimethylamino)propyl]-5h-dibenzo[a,d][7]annulen-5-ol, Cyclobenzaprine Related Compound A, EINECS 241-944-5, SMR000114577, AC1L3DLF, Oprea1_195093, MLS000549221, AC1Q7B59, SCHEMBL2240600, CHEMBL1454772, CTK4D7574, DTXSID30170942, BDBM112779, HMS2381H16, ZINC984478, MFCD01927774, AKOS022174886, MCULE-8285949451, NCGC00247209-01, AJ-24640, US8629135, SW-11, ST24044177, AI-942/13332183, J-011516, 5-[3-(Dimethylamino)propyl]-5H-dibenzo[a,d]-cyclohepten-5-ol, 11-[3-(dimethylamino)propyl]dibenzo[2,1-b:1',2'-e][7]annulen-11-ol, 3-(5-Hydroxy-5H-Dibenzo[A,D]Cyclohepten-5-Yl)-N,N-Dimethyl-Propylamine, 2-[3-(dimethylamino)propyl]tricyclo[9.4.0.0^{3,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol, C20H23NO, 5-Hydroxy-N-methylprotriptyline, VMLRQKQUOMJJAN-UHFFFAOYSA-N, C20-H23-N-O, CID87418, AR-1G6760, CS-O-07716, 5H-Dibenzo(a,d)cyclohepten-5-ol, 5-(3-(dimethylamino)propyl)-, 18355-50-5,

Complexity	363
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.178g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	293.41g/mol
Monoisotopic Mass	293.178g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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