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89536-45-8

89536-45-8 | 8H-Thieno[2,3-c]azepin-6-amine, N,N-diethyl-

CAS No: 89536-45-8 Catalog No: AG004042 MDL No:

Product Description

Catalog Number:
AG004042
Chemical Name:
8H-Thieno[2,3-c]azepin-6-amine, N,N-diethyl-
CAS Number:
89536-45-8
Molecular Formula:
C12H16N2S
Molecular Weight:
220.3338
IUPAC Name:
N,N-diethyl-8H-thieno[2,3-c]azepin-6-amine
InChI:
InChI=1S/C12H16N2S/c1-3-14(4-2)12-6-5-10-7-8-15-11(10)9-13-12/h5-8H,3-4,9H2,1-2H3
InChI Key:
FHKPYSSWPAAEEI-UHFFFAOYSA-N
SMILES:
CCN(C1=NCc2c(C=C1)ccs2)CC

Properties

Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.103g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.334g/mol
Monoisotopic Mass:
220.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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