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22661-87-6 molecular structure
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1-methylguanidine hydrochloride

ChemBase ID: 70613
Molecular Formular: C2H8ClN3
Molecular Mass: 109.55802
Monoisotopic Mass: 109.04067495
SMILES and InChIs

SMILES:
N(C(=N)N)C.Cl
Canonical SMILES:
CNC(=N)N.Cl
InChI:
InChI=1S/C2H7N3.ClH/c1-5-2(3)4;/h1H3,(H4,3,4,5);1H
InChIKey:
VJQCNCOGZPSOQZ-UHFFFAOYSA-N

Cite this record

CBID:70613 http://www.chembase.cn/molecule-70613.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methylguanidine hydrochloride
IUPAC Traditional name
methylguanidine hydrochloride
Synonyms
1-Methylguanidine hydrochloride
Methylguanidine hydrochloride
N-Methylguanidine monohydrochloride
Methylguanidinium Chloride
N-Methylguanidine Hydrochloride
METHYLGUANIDINE
甲基胍 盐酸盐
CAS Number
22661-87-6
21770-81-0
EC Number
245-147-3
MDL Number
MFCD00012576
PubChem SID
24853329
162036328
PubChem CID
146724

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.3746824  LogD (pH = 7.4) -3.3742156 
Log P -0.9592296  Molar Refractivity 30.6334 cm3
Polarizability 7.4338884 Å3 Polar Surface Area 61.9 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
118-124°C expand Show data source
121-124°C expand Show data source
Storage Condition
0°C expand Show data source
Refrigerator expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
CH3NHC(=NH)NH2·HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02155561 external link
Hydrochloride Crystalline
Sigma Aldrich - 222402 external link
Packaging
1, 5 g in glass bottle
Toronto Research Chemicals - M311776 external link
N-Methylguanidine is an alkylated guanidine which shows inhibitory action against trypsin catalysis. N-Methylguanidine inhibited metabolism of certain hepatic drugs that was mediated by cytochrome P 450 protein in human liver microsome and hepatocyte.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Inagami, T. et al.: Biochemistry, 7, 4045 (1968)
  • • Hanada, K. et al.: Nephron, 103, 179 (1968)
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PATENTS

PATENTS

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INTERNET

INTERNET

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