Debutylbupivacaine

CAT: 0127-BUP11358-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11358-01Size:50 mg

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

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CAS Number

15883-20-2

Purity

=98%

Smiles

CC1=CC=CC(C)=C1NC(=O)C1CCCCN1

Chemical Information

2',6'-Pipecoloxylidide

2,6-Pipecoloxylidide is an amino acid amide.

CAS Number	15883-20-2
PubChem CID	115282
IUPAC Name	N-(2,6-dimethylphenyl)piperidine-2-carboxamide
Molecular Formula	C14H20N2O
Molecular Weight	232.32
XLogP	2.3
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	257

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2

InChI

InChI=1S/C14H20N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,16,17)

InChIKey

SILRCGDPZGQJOQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15883-20-2

CID: 115282

Formula: C14H20N2O

MW: 232.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.32
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	232.157563266
Monoisotopic Mass	232.157563266
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	257
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
M12267-01	Debutylbupivacaine