200,000+ products from a single source!
sales@angenechem.com
81574-46-1 | 1,1-ETHANEDIAMINE, N'-(2-(((5-((DIMETHYLAMINO)METHYL)-2-FURANYL)METHYL)THIO)ETHYL)-N-METHYL-2-NITRO-N-NITROSO-
CAS No: 81574-46-1 Catalog No: AG005JSD MDL No:
Product Description
Catalog Number:
AG005JSD
Chemical Name:
1,1-ETHANEDIAMINE, N'-(2-(((5-((DIMETHYLAMINO)METHYL)-2-FURANYL)METHYL)THIO)ETHYL)-N-METHYL-2-NITRO-N-NITROSO-
CAS Number:
81574-46-1
Molecular Formula:
C13H23N5O4S
Molecular Weight:
345.4178
IUPAC Name:
N-[1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-2-nitroethyl]-N-methylnitrous amide
InChI:
InChI=1S/C13H23N5O4S/c1-16(2)8-11-4-5-12(22-11)10-23-7-6-14-13(9-18(20)21)17(3)15-19/h4-5,13-14H,6-10H2,1-3H3
InChI Key:
DFFRRWAFZBCUIP-UHFFFAOYSA-N
SMILES:
O=NN(C(C[N+](=O)[O-])NCCSCc1ccc(o1)CN(C)C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.418g/mol
Monoisotopic Mass:
345.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.