Acetamidine monohydrochloride
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Basic information
- CAS
124-42-5- Standard SMILES
CC(=N)N.Cl- InChIKey
WCQOBLXWLRDEQA-UHFFFAOYSA-N- Molecular formula
- C2H7ClN2
- Average molar mass
- 94.54 g/mol
- Monoisotopic mass
- 94.0297759
Names & identifiers
- Preferred name
- Acetamidine monohydrochloride
- IUPAC
- ethanimidamide;hydrochloride
- English name
- Acetamidine hydrochloride
- Molecular formula
- C2H7ClN2
- Molecular weight
- 94.54
Names & synonyms
Acetamidine monohydrochlorideRefChem:108862Acetamidine hydrochloride124-42-5Acetimidamide hydrochlorideethanimidamide hydrochlorideACETAMIDINE HClAcetamidinium chlorideEthanimidamide, monohydrochlorideEthanimidamide, hydrochloride (1:1)Ethanamidine hydrochlorideAcediamine hydrochloride
Show more names
AcetamidineAcetoamidine hydrochlorideethanamidineAcetamine HClAcetamidine hydrochl
MFCD00013016methylamidine hydrochlorideC2H7ClN2Ethenylamidine hydrochlorideAcetamidine, monohydrochlorideAcetamidine, hydrochlorideSN 4455M2026K4JCF
Database identifiers
- CAS
124-42-5- PubChem CID
- 67170
- DTXSID
DTXSID2059564- UNII
- M2026K4JCF
- EC Number
- 204-700-9
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 31
Physicochemical properties
- Melting point
- 165 · 165-170 °C(lit.)
- Boiling point
- 129.78 °C · 129.78°C (rough estimate)
- Density
- 1.0596 · 1.0596 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 1 · pK1: 1.60(+1) (25°C)
- form
- Crystalline Powder, Crystals and/or Chunks
- color
- White to cream
- Water Solubility
- 1 g/mL · 1 g/mL
- Sensitive
- Hygroscopic
- Merck
- 14 · 14,44
- BRN
- 3591762 · 3591762
- InChI
- 1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
- InChIKey
- WCQOBLXWLRDEQA-UHFFFAOYSA-N
- SMILES
- Cl[H].CC(N)=N
- CAS DataBase Reference
- 124 · 124-42-5(CAS DataBase Reference)
- FDA UNII
- 2026 K4JCF · M2026K4JCF
- EPA Substance Registry System
- Ethanimidamide, monohydrochloride (124-42-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- F
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29252000 · 29252000
- Storage Class
- 11 · 11 - Combustible Solids
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (92.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationAcetamidinium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (92.2%)
Regulatory information
Regulatory InformationAcetamidinium chloride: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 3
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29252000
- risk_code
- 36/37/38-36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanimidamide, hydrochloride (1:1): ACTIVE
Applications
UsesAcetamidine Hydrochloride is a compound useful in organic synthesis.
UsesAcetamidine hydrochloride was used in the preparation of decarboxyectoine. It was also used in the synthesis of ethyl 4-(4-hydroxyphenyl)methylidene-2-methyl-5-oxo-1-imidazolacetate.
General DescriptionAcetamidine hydrochloride is an amidine salt and its conversion to 2,4,6-trimethyl-sym-triazine has been studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
292 records
Compound notes
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