200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87989-01-3
87989-01-3 | 3-Buten-2-one, 3-azido-4-[(1,1-dimethylethyl)imino]-
CAS No: 87989-01-3 Catalog No: AG004HRG MDL No:
Product Description
Catalog Number:
AG004HRG
Chemical Name:
3-Buten-2-one, 3-azido-4-[(1,1-dimethylethyl)imino]-
CAS Number:
87989-01-3
Molecular Formula:
C8H12N4O
Molecular Weight:
180.2071
IUPAC Name:
3-azido-4-tert-butyliminobut-3-en-2-one
InChI:
InChI=1S/C8H12N4O/c1-6(13)7(11-12-9)5-10-8(2,3)4/h1-4H3
InChI Key:
OBALZNULOOAYCX-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(=C=NC(C)(C)C)C(=O)C
Properties
Complexity:
312
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.211g/mol
Monoisotopic Mass:
180.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.