Guanylurea
Basic information
- CAS
141-83-3- Standard SMILES
NC(=O)N=C(N)N- InChIKey
SQSPRWMERUQXNE-UHFFFAOYSA-N- Molecular formula
- C2H6N4O
- Average molar mass
- 102.1 g/mol
- Monoisotopic mass
- 102.05416083
Overview
Guanylurea is an organooxygen compound. It is functionally related to a carbonic acid.
Names & identifiers
- Preferred name
- Guanylurea
- IUPAC
- diaminomethylideneurea
- English name
- CARBAMOYL-GUANIDINE AMIDINO UREA SALT
- Molecular formula
- C2H6N4O
- Molecular weight
- 102.1
Names & synonyms
Guanylurea1-Carbamoylguanidine141-83-3DicyandiamidineN-AmidinoureaGuanidinecarboxamideN-CarbamoylguanidineUrea, amidino-1-AMIDINOUREAGuanidine carboxamide128C2R3P8GDTXSID3043811
Show more names
N-(Aminoiminomethyl)ureaSKL546amidino-ureBiuretamidine
RefChem:144650DTXCID1023811205-504-6Amidinourea1-carbamimidoylureadiaminomethylideneureaUrea, (aminoiminomethyl)-(Aminoiminomethyl)urea
Database identifiers
- CAS
141-83-3- PubChem CID
- 8859
- DTXSID
DTXSID3043811- ChEBI
CHEBI:180964- UNII
- 128C2R3P8G
- EC Number
- 205-504-6
- Nikkaji
- J5.806H
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
Chemical ClassesPharmaceutical
DrugsPharmaceuticals -> Metabolite of Metformin
Physicochemical properties
- Melting point
- 173 · 173-175°C
- Boiling point
- 191.38 °C · 191.38°C (rough estimate)
- Density
- 1.3662 · 1.3662 (rough estimate)
- refractive index
- 1.4164 · 1.4164 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- pka
- 1 · pK1:1.8;pK2:8.2 (25°C)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- CAS DataBase Reference
- 141 · 141-83-3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationUrea, (aminoiminomethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
USGS Health-Based Screening Levels for Evaluating Water-Quality
Guanylurea
Pharmaceutical
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals -> Transformation products
General Manufacturing InformationUrea, N-(aminoiminomethyl)-: ACTIVE
Applications
UsesGuanylurea is used for detecting and determining Ni and its separation from Co and other metals.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Guanylurea is an organooxygen compound. It is functionally related to a carbonic acid.
Suppliers
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Related reactions
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Compound notes
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