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Spinacine

CAT: 0013-GTR19216524-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19216524-03Size:1 g
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Description
Spinacine is a condensation product of formaldehyde and histidine and an endogenous metabolite.
CAS Number
59981-63-4
Product Name Alternative
L-4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
Purity
>98% (HPLC)
Solubility
In Vitro: H2O : 33.33 mg/mL (199.38 mM)
Smiles
OC (=O) [C@@H]1Cc2[nH]cnc2CN1
Molecular Formula
C7H9N3O2
Molecular Weight
167.168
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(6S)-4,5,6,7-Tetrahydro-3H-imidazo(4,5-c)pyridine-6-carboxylic acid

Spinacine is an alpha-amino acid.

CAS Number59981-63-4
PubChem CID162899
IUPAC Name(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
Molecular FormulaC7H9N3O2
Molecular Weight167.17
XLogP-3.1
Topological Polar Surface Area78
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity197
SMILES
C1[C@H](NCC2=C1N=CN2)C(=O)O
InChI
InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKey
YCFJXOFFQLPCHD-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of (6S)-4,5,6,7-Tetrahydro-3H-imidazo(4,5-c)pyridine-6-carboxylic acid
CAS: 59981-63-4
CID: 162899
Formula: C7H9N3O2
MW: 167.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.17
XLogP3-3.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass167.069476538
Monoisotopic Mass167.069476538
Topological Polar Surface Area78 Ų
Heavy Atom Count12
Formal Charge0
Complexity197
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-W067716-01Spinacine
HY-W067716RSpinacine (Standard)

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