200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 125671-99-0
125671-99-0 | Carbamic acid, N,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, C,C'-dibutyl ester
CAS No: 125671-99-0 Catalog No: AG000OC5 MDL No:
Product Description
Catalog Number:
AG000OC5
Chemical Name:
Carbamic acid, N,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl]bis-, C,C'-dibutyl ester
CAS Number:
125671-99-0
Molecular Formula:
C20H28N4O6
Molecular Weight:
420.4595
IUPAC Name:
butyl N-[2,5-bis(aziridin-1-yl)-4-(butoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]carbamate
InChI:
InChI=1S/C20H28N4O6/c1-3-5-11-29-19(27)21-13-15(23-7-8-23)18(26)14(16(17(13)25)24-9-10-24)22-20(28)30-12-6-4-2/h3-12H2,1-2H3,(H,21,27)(H,22,28)
InChI Key:
ZCYKGHPSPFTSJQ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)NC1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)NC(=O)OCCCC
Properties
Complexity:
729
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.201g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
420.466g/mol
Monoisotopic Mass:
420.201g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.