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2482-00-0 molecular structure
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1-(4-aminobutyl)guanidine; sulfuric acid

ChemBase ID: 84913
Molecular Formular: C5H16N4O4S
Molecular Mass: 228.26994
Monoisotopic Mass: 228.08922601
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

Cite this record

CBID:84913 http://www.chembase.cn/molecule-84913.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-aminobutyl)guanidine; sulfuric acid
IUPAC Traditional name
agmatine; sulfuric acid
Synonyms
AGMATINE SULFATE
1-Amino-4-guanidinobutane sulfate salt
4-Guanidinobutylamine sulfate salt
N-(4-Aminobutyl)guanidine sulfate salt
Agmatine sulfate salt
N-(4-aminobutyl)guanidine sulphate
CAS Number
2482-00-0
EC Number
219-617-3
MDL Number
MFCD00013109
Beilstein Number
3918807
PubChem SID
162072029
24277749
PubChem CID
2794990

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.6034675  LogD (pH = 7.4) -5.886967 
Log P -1.1788911  Molar Refractivity 48.0932 cm3
Polarizability 14.466821 Å3 Polar Surface Area 87.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
ethanol: insoluble expand Show data source
H2O: soluble50 mg/mL expand Show data source
Apperance
white to off-white powder expand Show data source
Melting Point
234-238 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Gene Information
human ... ADRA2A(150), ADRA2B(151), ADRA2C(152), GRIN1(2902), GRIN2A(2903), GRIN2B(2904), GRIN2C(2905), GRIN2D(2906), GRINA(2907) expand Show data source
Purity
≥97% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
H2N(CH2)4NHC(=NH)NH2·H2SO4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05222845 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A7127 external link
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 external link
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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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