Trimethylolacetylenediureine

CAT: 1596-AR-G01557-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-G01557-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

5001-82-1

Synonyms

Trimethylolacetylenediureine; Imidazo (4,5-d) imidazole-2,5 (1H,3H) -dione, tetrahydro-1,3,4-tris (hydroxymethyl) -; Tetrahydro-1,3,4-tris (hydroxymethyl) imidazo (4,5-d) imidazole-2,5 (1H,3H) -dione; 1,3,4-tris (hydroxymethyl) tetrahydroimidazo[4,5-d]imidazole-2,5 (1H,3H) -dione

Molecular Formula

C7H12N4O5

Molecular Weight

232.2

API Name

Glycoluril

Chemical Information

Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4-tris(hydroxymethyl)-

CAS Number	5001-82-1
PubChem CID	107619
IUPAC Name	3,4,6-tris(hydroxymethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
Molecular Formula	C7H12N4O5
Molecular Weight	232.19
XLogP	-1.7
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	324

SMILES

C(N1C2C(N(C(=O)N2)CO)N(C1=O)CO)O

InChI

InChI=1S/C7H12N4O5/c12-1-9-4-5(11(3-14)7(9)16)10(2-13)6(15)8-4/h4-5,12-14H,1-3H2,(H,8,15)

InChIKey

IQAIFQCNPCBECX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5001-82-1

CID: 107619

Formula: C7H12N4O5

MW: 232.19

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	232.19
XLogP3	-1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	232.08076950
Monoisotopic Mass	232.08076950
Topological Polar Surface Area	117 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	324
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Trimethylolacetylenediureine

Chemical Information

Popular Products