Basic information
- CAS
112-65-2- Standard SMILES
CCCCCCCCCCCCN=C(N)N- InChIKey
HILAYQUKKYWPJW-UHFFFAOYSA-N- Molecular formula
- C13H29N3
- Average molar mass
- 227.39 g/mol
- Monoisotopic mass
- 227.23614794
Overview
1-dodecylguanidine is a member of the class of guanidines that is guanidine in which one of the amino groups is substituted by a dodecyl group. It is used (generally as its acetate salt, known as dodine) as a agrochemical fungicide. It has a role as an antibacterial agent and an antifungal agrochemical. It is a member of guanidines and an aliphatic nitrogen antifungal agent. It contains a dodecyl group and a guanidino group. It is a conjugate base of a 1-dodecylguanidine(1+).
Names & identifiers
- Preferred name
- Guanidine, dodecyl-
- IUPAC
- 2-dodecylguanidine
- English name
- Dodecylguanidine
- Molecular formula
- C13H29N3
- Molecular weight
- 227.39
Names & synonyms
Guanidine, dodecyl-RefChem:782807DODECYLGUANIDINE1-dodecylguanidine112-65-22-dodecylguanidineGuanidine, N-dodecyl-n-dodecylguanidineGuanidine,dodecyl-laurylguanidineVerichem N 2000DODINE FREE BASE
Show more names
UNII-RNB1NU2RGG1-laurylguanidineaminododecylcarboxamidineSCHEMBL21643SCHEMBL21644CHEMBL74474DTXSID8041907CHEBI:74880
Database identifiers
- CAS
112-65-2、2439-10-3- PubChem CID
- 8204
- DTXSID
DTXSID8041907- ChEMBL
CHEMBL74474- ChEBI
CHEBI:74880- UNII
- RNB1NU2RGG
- Nikkaji
- J56.150I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
Pesticides
Fungicides
Environmental transformation -> Pesticides (parent, predecessor)
Collision Cross Section175.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3020548]
Physicochemical properties
- FDA UNII
- 1 NU2RGG · RNB1NU2RGG
- EPA Substance Registry System
- Dodecylguanidine (112-65-2)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Guanidine, dodecyl-
Guanidine, dodecyl-: 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.
Chemistry & industry
Uses & manufacturing
Use Classification
Fungicides
Environmental transformation -> Pesticides (parent, predecessor)
Suppliers2 total
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of guanidines that is guanidine in which one of the amino groups is substituted by a dodecyl group. It is used (generally as its acetate salt, known as dodine) as a agrochemical fungicide.
Related reactions
0 records
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Compound notes
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