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1-(4-aminobutyl)guanidine; sulfuric acid
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ChemBase ID:
84913
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Molecular Formular:
C5H16N4O4S
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Molecular Mass:
228.26994
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Monoisotopic Mass:
228.08922601
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SMILES and InChIs
SMILES:
S(=O)(=O)(O)O.N=C(NCCCCN)N
Canonical SMILES:
OS(=O)(=O)O.NCCCCNC(=N)N
InChI:
InChI=1S/C5H14N4.H2O4S/c6-3-1-2-4-9-5(7)8;1-5(2,3)4/h1-4,6H2,(H4,7,8,9);(H2,1,2,3,4)
InChIKey:
PTAYFGHRDOMJGC-UHFFFAOYSA-N
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Cite this record
CBID:84913 http://www.chembase.cn/molecule-84913.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-(4-aminobutyl)guanidine; sulfuric acid
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IUPAC Traditional name
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Synonyms
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AGMATINE SULFATE
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1-Amino-4-guanidinobutane sulfate salt
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4-Guanidinobutylamine sulfate salt
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N-(4-Aminobutyl)guanidine sulfate salt
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Agmatine sulfate salt
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N-(4-aminobutyl)guanidine sulphate
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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4
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H Donor
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4
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LogD (pH = 5.5)
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-6.6034675
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LogD (pH = 7.4)
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-5.886967
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Log P
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-1.1788911
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Molar Refractivity
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48.0932 cm3
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Polarizability
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14.466821 Å3
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Polar Surface Area
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87.92 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Pharmacology Properties
Product Information
Bioassay(PubChem)
Solubility
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ethanol: insoluble
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Show
data source
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H2O: soluble50 mg/mL
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Show
data source
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Apperance
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white to off-white powder
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data source
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Melting Point
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234-238 °C(lit.)
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data source
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MSDS Link
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German water hazard class
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3
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data source
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Personal Protective Equipment
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Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
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Show
data source
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Gene Information
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human ... ADRA2A(150), ADRA2B(151), ADRA2C(152), GRIN1(2902), GRIN2A(2903), GRIN2B(2904), GRIN2C(2905), GRIN2D(2906), GRINA(2907)
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data source
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Purity
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≥97%
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data source
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97%
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data source
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Certificate of Analysis
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Linear Formula
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H2N(CH2)4NHC(=NH)NH2·H2SO4
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Show
data source
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DETAILS
DETAILS
MP Biomedicals
Sigma Aldrich
Sigma Aldrich -
A7127
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Biochem/physiol Actions Putative endogenous neurotransmitter at imidazoline receptors; displaces clonidine at α2-adrenergic and at imidazoline receptors; blocks NMDA-activated ion channels in hippocampal neurons. 包装 1, 5 g in glass bottle |
Sigma Aldrich -
101443
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Biochem/physiol Actions Putative endogenous neurotransmitter at imidazoline receptors; displaces clonidine at α2-adrenergic and at imidazoline receptors; blocks NMDA-activated ion channels in hippocampal neurons. Packaging 1, 5 g in glass bottle |
PATENTS
PATENTS
PubChem Patent
Google Patent