200,000+ products from a single source!
sales@angenechem.com
190900-21-1 | 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1-dimethylethyl ester
CAS No: 190900-21-1 Catalog No: AG002EWN MDL No:MFCD04115319
Product Description
Catalog Number:
AG002EWN
Chemical Name:
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-5-oxo-, 1,1-dimethylethyl ester
CAS Number:
190900-21-1
Molecular Formula:
C10H18N2O3
Molecular Weight:
214.2615
MDL Number:
MFCD04115319
IUPAC Name:
tert-butyl 5-oxo-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-8(13)11-5-7-12/h4-7H2,1-3H3,(H,11,13)
InChI Key:
GLJYPTWEXBUATJ-UHFFFAOYSA-N
SMILES:
O=C1NCCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.132g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.265g/mol
Monoisotopic Mass:
214.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.