Home Other Building Blocks 1-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

1-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

CAS No.:
1267815-44-0
Catalog Number:
AG01A4TZ
Molecular Formula:
C12H18N2
Molecular Weight:
190.2847
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Product Description
Catalog Number:
AG01A4TZ
Chemical Name:
1-(propan-2-yl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CAS Number:
1267815-44-0
Molecular Formula:
C12H18N2
Molecular Weight:
190.2847
MDL Number:
MFCD18268858
IUPAC Name:
1-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzodiazepine
InChI:
InChI=1S/C12H18N2/c1-10(2)14-8-7-13-9-11-5-3-4-6-12(11)14/h3-6,10,13H,7-9H2,1-2H3
InChI Key:
JLDOHVIQBNBHBP-UHFFFAOYSA-N
SMILES:
CC(N1CCNCc2c1cccc2)C
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.147g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.29g/mol
Monoisotopic Mass:
190.147g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties