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76649-36-0 | N-(2-aminoethyl)ethane-1,2-diamine; formaldehyde; formic acid; urea
CAS No: 76649-36-0 Catalog No: AG005W29 MDL No:
Product Description
Catalog Number:
AG005W29
Chemical Name:
N-(2-aminoethyl)ethane-1,2-diamine; formaldehyde; formic acid; urea
CAS Number:
76649-36-0
Molecular Formula:
C7H21N5O4
Molecular Weight:
239.2727
IUPAC Name:
N'-(2-aminoethyl)ethane-1,2-diamine;formaldehyde;formic acid;urea
InChI:
InChI=1S/C4H13N3.CH4N2O.CH2O2.CH2O/c5-1-3-7-4-2-6;2-1(3)4;2-1-3;1-2/h7H,1-6H2;(H4,2,3,4);1H,(H,2,3);1H2
InChI Key:
ZRCLMERANAPFAV-UHFFFAOYSA-N
SMILES:
NC(=O)N.NCCNCCN.OC=O.C=O
Properties
Complexity:
67.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.159g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
239.276g/mol
Monoisotopic Mass:
239.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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