200,000+ products from a single source!
sales@angenechem.com
117009-97-9 | 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-, phenylmethyl ester
CAS No: 117009-97-9 Catalog No: AG000DJV MDL No:MFCD01863703
Product Description
Catalog Number:
AG000DJV
Chemical Name:
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-, phenylmethyl ester
CAS Number:
117009-97-9
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD01863703
IUPAC Name:
benzyl 1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C13H18N2O2/c16-13(15-9-4-7-14-8-10-15)17-11-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2
InChI Key:
BXDQJVDEALOIQW-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCCC1)OCc1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.