Home Other Building Blocks 8-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

8-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

CAS No.:
1267873-98-2
Catalog Number:
AG01B8LT
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
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Product Description
Catalog Number:
AG01B8LT
Chemical Name:
8-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CAS Number:
1267873-98-2
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
MDL Number:
MFCD19285312
IUPAC Name:
8-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
InChI:
InChI=1S/C10H14N2O/c1-13-9-3-2-8-7-11-4-5-12-10(8)6-9/h2-3,6,11-12H,4-5,7H2,1H3
InChI Key:
WDHDVBWHILFHOW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)NCCNC2
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties