200,000+ products from a single source!
sales@angenechem.com
80858-92-0 | 5-[(3-hydroxybutyl)(nitroso)amino]pentan-2-one
CAS No: 80858-92-0 Catalog No: AG005IBD MDL No:
Product Description
Catalog Number:
AG005IBD
Chemical Name:
5-[(3-hydroxybutyl)(nitroso)amino]pentan-2-one
CAS Number:
80858-92-0
Molecular Formula:
C9H18N2O3
Molecular Weight:
202.2508
IUPAC Name:
N-(3-hydroxybutyl)-N-(4-oxopentyl)nitrous amide
InChI:
InChI=1S/C9H18N2O3/c1-8(12)4-3-6-11(10-14)7-5-9(2)13/h9,13H,3-7H2,1-2H3
InChI Key:
DJZOYKOYKVQJTA-UHFFFAOYSA-N
SMILES:
O=NN(CCC(O)C)CCCC(=O)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.132g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.254g/mol
Monoisotopic Mass:
202.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.