Home Other Building Blocks 4-Boc-9-methyl-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine

4-Boc-9-methyl-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine

CAS No.:
886364-23-4
Catalog Number:
AG004AOS
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$305
- +
5g
97%
1 week
United States
$953
- +
Product Description
Catalog Number:
AG004AOS
Chemical Name:
4-Boc-9-methyl-2,3,4,5-tetrahydro-1h-benzo[e][1,4]diazepine
CAS Number:
886364-23-4
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
MDL Number:
MFCD07369862
IUPAC Name:
tert-butyl 9-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
InChI:
InChI=1S/C15H22N2O2/c1-11-6-5-7-12-10-17(9-8-16-13(11)12)14(18)19-15(2,3)4/h5-7,16H,8-10H2,1-4H3
InChI Key:
KRENOWDAKOGMIJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCNc2c(C1)cccc2C)OC(C)(C)C
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties