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Agmatine sulfate

Agmatine sulfate structure

CAS No:
2482-00-0
Formula:
C5H14N4.H2O4S
Chemical Name:
Agmatine sulfate
Synonyms:
Guanidine,N-(4-aminobutyl)-,sulfate (1:1);Guanidine,(4-aminobutyl)-,sulfate (1:1);Agmatine sulfate;NIH 11035;1-(4-Aminobutyl)guanidine sulfate
Categories:
Chemical Reagents > Organic Reagents

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Description

White to off-white powder

Agmatine sulfate Basic Attributes

Molecular Weight：

228.27

Exact Mass：

228.089

EC Number：

219-617-3

UNII：

RU0176QL8I

DSSTox ID：

DTXSID90179517

HScode：

2925290090

Characteristics

PSA：

173

XLogP3：

1.52760

Appearance：

white to off-white powder

Melting Point：

234-238 °C(lit.)

Boiling Point：

281.4°C at 760 mmHg

Flash Point：

124ºC

Water Solubility：

soluble in water, nearly insoluble in alcoholH2O: 50 mg/mL

Storage Conditions：

−20°C

Vapor Pressure：

0.00357mmHg at 25°C

Collision Cross Section：

128.1 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

ME8413000

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Agmatine sulfate Use and Manufacturing

Agmatine Sulfate is a a polyamine derived from L-arginine (A769500) decarboxylation and is a known putative endogenous neurotransmitter at imidazoline receptors. Agmatine sulfate displaces clonidine at α2-adrenergic and at imidazoline receptors and was recently shown to exert some neuroprotective effects.

Computed Properties

Molecular Weight:228.27
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:228.08922618
Monoisotopic Mass:228.08922618
Topological Polar Surface Area:173
Heavy Atom Count:14
Complexity:166
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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