N-Butylurea

CAT: 0024-sc-250457Size: 100 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-250457Size:100 g

Selected

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

Quick Request Actions

CAS Number

592-31-4

Chemical Information

Butylurea

N-butylurea is an odorless white solid. (NTP, 1992)

CAS Number	592-31-4
PubChem CID	11595
IUPAC Name	butylurea
Molecular Formula	C5H12N2O
Molecular Weight	116.16
XLogP	0.4
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	72

SMILES

CCCCNC(=O)N

InChI

InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)

InChIKey

CNWSQCLBDWYLAN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 592-31-4

CID: 11595

Formula: C5H12N2O

MW: 116.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.16
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	116.094963011
Monoisotopic Mass	116.094963011
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-228742	N-tert-Butylurea
sc-222018B	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
sc-222018A	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
sc-222018	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
sc-255378	N, N, N', N'', N''-Pentamethyldiethylenetriamine
sc-255378A	N, N, N', N'', N''-Pentamethyldiethylenetriamine
sc-476472	N, N, N', N'-Tetramethylmalonamide
sc-475571	N, N, N', N'-Tetrapentylmalonamide
sc-475567	N, N, N', N'-Tetraethylmalonamide
sc-253153	N, N, N', N'-Tetramethyldiaminomethane