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Methylguanidine

Methylguanidine structure

CAS No:
471-29-4
Formula:
C2H7N3
Chemical Name:
Methylguanidine
Synonyms:
Guanidine,N-methyl-;Guanidine,methyl-;N-Methylguanidine;Methylguanidine;N1-Methylguanidine;1-Methylguanidine;117365-56-7;154605-71-7
Categories:
Chemical Reagents > Organic Reagents

Description

ChEBI: A guanidine in which one of the amino hydrogens of guanidine itself is substituted by a methyl group.

Solid

Methylguanidine is a guanidine in which one of the amino hydrogens of guanidine itself is substituted by a methyl group. It has a role as a metabolite, an EC 1.14.13.39 (nitric oxide synthase) inhibitor and a uremic toxin. It is a conjugate base of a methylguanidinium.|A product of putrefaction. Poisonous.

Methylguanidine Basic Attributes

Molecular Weight：

73.09708

Exact Mass：

73.10

EC Number：

207-438-3

UNII：

5L0H5Q9VAG

DSSTox ID：

DTXSID4020872

Characteristics

PSA：

64.4

XLogP3：

0.29020

Appearance：

Solid

Density：

1.19g/cm3

Melting Point：

198-200 °C

Boiling Point：

96℃

Flash Point：

12℃

Refractive Index：

1.513

Water Solubility：

1.78 mg/mL

Toxicity：

MLD in rats (mg/kg): 250 s.c. (Alles); LD in frogs, mice (mg/kg): 170-190, 550-600 s.c. (Fühner)

Drug Information

MeSH Entry Terms：

Methylguanidine

Methylguanidine Use and Manufacturing

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

R016192 is a known environmental transformation product of Pirimicarb.

Computed Properties

Molecular Weight:73.10
XLogP3:-1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Exact Mass:73.063997236
Monoisotopic Mass:73.063997236
Topological Polar Surface Area:64.4
Heavy Atom Count:5
Complexity:42.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

Ammonia