Basic information
- CAS
5699-40-1- Standard SMILES
CC(=O)N=C(N)N- InChIKey
NGGXACLSAZXJGM-UHFFFAOYSA-N- Molecular formula
- C3H7N3O
- Average molar mass
- 101.11 g/mol
- Monoisotopic mass
- 101.05891186
Names & identifiers
- Preferred name
- N-(Aminoiminomethyl)acetamide
- IUPAC
- N-(diaminomethylidene)acetamide
- English name
- N-ACETYLGUANIDINE
- Molecular formula
- C3H7N3O
- Molecular weight
- 101.11
Names & synonyms
5699-40-1N-(Aminoiminomethyl)acetamideEINECS 227-180-5DTXSID20205595RefChem:828315DTXCID50128086227-180-51-AcetylguanidineN-carbamimidoylacetamideN-AcetylguanidineN-(diaminomethylidene)acetamideacetylguanidine
Show more names
Acetamide, N-(aminoiminomethyl)-1-Acethlguanldne1-Acetylguanidne2-AcetylguanidineMonoacetyl guanidine1-Acetylguanidine,99%1-Acetylguanidine 98%N-Acetylguanidine, >95%
MFCD00075615acetylguanidinacetylguanidiniumN-(diaminomN-Acetyl-guanidineN-(diaminomethylene)acetamides10069SCHEMBL79062
Database identifiers
- CAS
5699-40-1- PubChem CID
- 38263
- DTXSID
DTXSID20205595- ChEMBL
CHEMBL1162547- UNII
- TN6XPW2XBE
- EC Number
- 227-180-5
- Nikkaji
- J225.101I
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Melting point
- 181 · 181-183 °C(lit.)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Powder
- pka
- 1 · pK1: 8.23(+1) (25°C)
- color
- White to off-white
- InChI
- InChI=1S/C3H7N3O/c1-2(7)6-3(4)5/h1H3,(H4,4,5,6,7)
- InChIKey
- NGGXACLSAZXJGM-UHFFFAOYSA-N
- SMILES
- C(NC(N)=N)(=O)C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- WGK Germany
- 3 · 3
- HazardClass
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29252900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Applications
Uses1-Acetylguanidine may be used in the preparation of:4-[5-(3-fluorophenyl)furan-2-yl]-2-acetylamino-5-methylimidazolenovel series of amino-protected 6-alkyl-, 6-aryl-, 6-heteroaryl- and 5,6-fused-cycloalkane 4-trifluoromethyl-2-acetylaminopyrimidinesnew series of protected 6-alkyl- and 6-aryl-2-acetylamino-4(3H)-pyrimidinones4-trifluoromethyl-6-(2,2-dimethoxyethyl)-2-acetylaminopyrimidine
General Description1-Acetylguanidine is a guanidine derivative.
Suppliers100 total
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
镇江中智化学科技有限公司0511-15050866711; 15050866711 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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