200,000+ products from a single source!
sales@angenechem.com
81225-96-9 | 3-((BUTYLAMINO)METHYLENE)-1H-1,5-BENZODIAZEPINE-2,4(3H,5H)-DIONE
CAS No: 81225-96-9 Catalog No: AG0054VR MDL No:
Product Description
Catalog Number:
AG0054VR
Chemical Name:
3-((BUTYLAMINO)METHYLENE)-1H-1,5-BENZODIAZEPINE-2,4(3H,5H)-DIONE
CAS Number:
81225-96-9
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
IUPAC Name:
3-(butylaminomethylidene)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
InChI:
InChI=1S/C14H17N3O2/c1-2-3-8-15-9-10-13(18)16-11-6-4-5-7-12(11)17-14(10)19/h4-7,9,15H,2-3,8H2,1H3,(H,16,18)(H,17,19)
InChI Key:
XJFLBWXJPVBIRE-UHFFFAOYSA-N
SMILES:
CCCCNC=c1c(=O)[nH]c2c([nH]c1=O)cccc2
UNII:
QS03WS73M5
NSC Number:
377138
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.