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Home > Other Heterocycles > 1242267-95-3
1242267-95-3 | 12',14'-dioxa-2',8'-diazaspiro[piperidine-4,7'-tetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadecane]-1'(9'),3',5',10',15'-pentaene hydrochloride
CAS No: 1242267-95-3 Catalog No: AG00IZH4 MDL No:MFCD16622820
Product Description
Catalog Number:
AG00IZH4
Chemical Name:
12',14'-dioxa-2',8'-diazaspiro[piperidine-4,7'-tetracyclo[7.7.0.0^{2,6}.0^{11,15}]hexadecane]-1'(9'),3',5',10',15'-pentaene hydrochloride
CAS Number:
1242267-95-3
Molecular Formula:
C16H18ClN3O2
Molecular Weight:
319.7860
MDL Number:
MFCD16622820
IUPAC Name:
spiro[12,14-dioxa-2,8-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaene-7,4'-piperidine];hydrochloride
InChI:
InChI=1S/C16H17N3O2.ClH/c1-2-15-16(3-5-17-6-4-16)18-11-8-13-14(21-10-20-13)9-12(11)19(15)7-1;/h1-2,7-9,17-18H,3-6,10H2;1H
InChI Key:
DCGROZXCQCCEGA-UHFFFAOYSA-N
SMILES:
N1CCC2(CC1)Nc1cc3OCOc3cc1n1c2ccc1.Cl
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
319.789g/mol
Monoisotopic Mass:
319.109g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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