Ethyl pipecolinate hydrochloride

CAT: 0926-CDA03433Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-CDA03433Size:50 g

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CAS Number

77034-33-4

MDL Number

MFCD00134518

Smiles

CCOC (=O) C1CCCCN1.Cl

Molecular Formula

C8H15NO2·HCl

Molecular Weight

193.67 g/mol

Controlled

Chemical Information

Ethyl pipecolinate hydrochloride

CAS Number	77034-33-4
PubChem CID	12436225
IUPAC Name	ethyl piperidine-2-carboxylate;hydrochloride
Molecular Formula	C8H16ClNO2
Molecular Weight	193.67
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	136

SMILES

CCOC(=O)C1CCCCN1.Cl

InChI

InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-5-3-4-6-9-7;/h7,9H,2-6H2,1H3;1H

InChIKey

KGAWPIXNSIYQPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77034-33-4

CID: 12436225

Formula: C8H16ClNO2

MW: 193.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.67
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	193.0869564
Monoisotopic Mass	193.0869564
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	136
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	2
Compound Is Canonicalized	Yes

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