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Guanidinoacetic acid

Guanidinoacetic acid structure

CAS No:
352-97-6
Formula:
C3H7N3O2
Chemical Name:
Guanidinoacetic acid
Synonyms:
Glycine,N-(aminoiminomethyl)-;Glycine,N-amidino-;N-(Aminoiminomethyl)glycine;Betacyamine;Glycocyamine;Guanidine,(carboxymethyl)-;Guanidineacetic acid;Guanidinoacetic acid;Guanidoacetic acid;Guanyl glycine;Acetic acid,[(aminoiminomethyl)amino]-;Guanidylacetic acid;Betasyamine;α-Guanidinoacetic acid;β-Guanidinoacetic acid;N-Amidinoglycine;2-[[Amino(imino)methyl]amino]acetic acid;NSC 1901;NSC 227847;NSC 26360;2-Guanidinoacetic acid;2-Carbamimidamidoacetic acid;2-(Diaminomethylideneazaniumyl)acetate;2-[(Diaminomethylidene)amino]acetic acid;13516-06-8;2101843-56-3
Categories:
Chemical Reagents > Organic Reagents

Description

2-Guanidinoacetic acid, a precursor of creatine, is a replacement of dietary arginine and could support overall energy homeostasis of the bird.

Solid

Guanidinoacetic acid is the N-amidino derivative of glycine. It has a role as a human metabolite, a mouse metabolite, a nutraceutical, a rat metabolite and a bacterial metabolite. It is a conjugate acid of a guanidinoacetate. It is a tautomer of a guanidinoacetic acid zwitterion.

Guanidinoacetic acid Basic Attributes

Molecular Weight：

117.10700

Exact Mass：

117.11

EC Number：

206-529-5

UNII：

GO52O1A04E

NSC Number：

227847|26360|1901

HScode：

29252000

Characteristics

PSA：

99.20000

XLogP3：

-1.6

Appearance：

Solid

Density：

1.59g/cm3

Melting Point：

>300 °C

Boiling Point：

346.8ºC at 760 mmHg

Flash Point：

163.5ºC

Refractive Index：

1.596

Water Solubility：

H2O: 6 M NaOH : 50 mg/mL, clear, colorless

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Collision Cross Section：

124.8 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|126.88 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|124.9 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|134.6 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|125.4 Å² [M+H]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

MB7700000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

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

Drug Information

MeSH：

Analogs of those substrates or compounds which bind naturally at the active sites of proteins, enzymes, antibodies, steroids, or physiological receptors. These analogs form a stable covalent bond at the binding site, thereby acting as inhibitors of the proteins or steroids. (See all compounds classified as Affinity Labels.)

MeSH Entry Terms：

glycocyamine

Guanidinoacetic acid Use and Manufacturing

A metabolite of glycine.

Computed Properties

Molecular Weight:117.11
XLogP3:-1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:117.053826475
Monoisotopic Mass:117.053826475
Topological Polar Surface Area:102
Heavy Atom Count:8
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Carbon dioxide

Thiourea dioxide

Glycine

Urea

Ethyl bromide

Ammonia

Sulfuric acid

Chloroacetic acid

Downstream Products

Carbon dioxide

Glycine

Urea

Ammonia

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