Guvacine hydrochloride

CAT: 0127-BUP11031-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11031-01Size:10 mg

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

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CAS Number

6027-91-4

Purity

=98%

Smiles

Cl.OC(=O)C1=CCCNC1

Chemical Information

Guvacine Hydrochloride

See also: Guvacine (annotation moved to).

CAS Number	6027-91-4
PubChem CID	11957555
IUPAC Name	1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride
Molecular Formula	C6H10ClNO2
Molecular Weight	163.60
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	151

SMILES

C1CNCC(=C1)C(=O)O.Cl

InChI

InChI=1S/C6H9NO2.ClH/c8-6(9)5-2-1-3-7-4-5;/h2,7H,1,3-4H2,(H,8,9);1H

InChIKey

FGNUNVVTHHKDAM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6027-91-4

CID: 11957555

Formula: C6H10ClNO2

MW: 163.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.60
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	163.0400063
Monoisotopic Mass	163.0400063
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	151
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	2
Compound Is Canonicalized	Yes

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