N-sec-Butylurea

CAT: 0127-OR1014477-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1014477-01Size:5 g

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

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CAS Number

689-11-2

MDL Number

MFCD03426250

Purity

98%

Smiles

CCC(C)NC(=O)N

Chemical Information

sec-Butylurea

CAS Number	689-11-2
PubChem CID	12715
IUPAC Name	butan-2-ylurea
Molecular Formula	C5H12N2O
Molecular Weight	116.16
XLogP	0.3
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	82

SMILES

CCC(C)NC(=O)N

InChI

InChI=1S/C5H12N2O/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)

InChIKey

CBRSBDUOPJQVMP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 689-11-2

CID: 12715

Formula: C5H12N2O

MW: 116.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	116.16
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	116.094963011
Monoisotopic Mass	116.094963011
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	82.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR79865-01	N-Butylurea
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OR919285-01	N-Sec-butyl-N-propylamine
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OR9106	N, N'-Di-sec-butylcarbodiimide
OR1049620-01	N- (sec-Butyl) thiazolidine-4-carboxamide
OR1003928-01	N- (sec-Butyl) -N-[ (2-methoxyphenyl) methylene]amine
OR1029923-01	Sec-Butyldisulfide
OR1077697	Sec-Butylbenzene
OR1011318-01	4,4'-Methylenebis (N- (Sec-Butyl) Aniline)