Milacemide

CAT: 0127-BUP08500-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08500-06Size:200 mg

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

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CAS Number

76990-56-2

Purity

=95%

Smiles

N(CCCCC)CC(N)=O

Chemical Information

Milacemide

Milacemide is a carboximidic acid.

CAS Number	76990-56-2
PubChem CID	53569
IUPAC Name	2-(pentylamino)acetamide
Molecular Formula	C7H16N2O
Molecular Weight	144.21
XLogP	0.5
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	93

SMILES

CCCCCNCC(=O)N

InChI

InChI=1S/C7H16N2O/c1-2-3-4-5-9-6-7(8)10/h9H,2-6H2,1H3,(H2,8,10)

InChIKey

GJNNXIYZWIZFRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76990-56-2

CID: 53569

Formula: C7H16N2O

MW: 144.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.21
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	144.126263138
Monoisotopic Mass	144.126263138
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	93.6
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