Basic information
- CAS
18240-93-2- Standard SMILES
CCN(CC)C(=N)N- InChIKey
PDDWJLGBNYUCQO-UHFFFAOYSA-N- Molecular formula
- C5H13N3
- Average molar mass
- 115.18 g/mol
- Monoisotopic mass
- 115.11094742
Names & identifiers
- Preferred name
- 1,1-Diethylguanidine
- IUPAC
- 1,1-diethylguanidine
- English name
- N,N-Diethyl-guanidine
- Molecular formula
- C5H13N3
- Molecular weight
- 115.18
Names & synonyms
1,1-Diethylguanidine18240-93-2N,N-Diethyl-guanidineN,N-DiethylguanidineGuanidine, N,N-diethyl-Guanidine, 1,1-diethyl-MFCD03094073DiathylguanidinaminodiethylcarboxamidineMetformin Impurity 27N,N-Diethylguanidine #SCHEMBL34049
Show more names
SCHEMBL1793572SCHEMBL4512241DTXSID30171292SBB056509AKOS000225413NS00067660D33028H54573
Database identifiers
- CAS
18240-93-2- PubChem CID
- 14467
- DTXSID
DTXSID30171292- Nikkaji
- J231.711G
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 75.7
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 220 °C · 220 °C
- Boiling point
- 154.6 · 154.6±23.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.70(Predicted)
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Upstream & downstream products
Downstream products
Suppliers28 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
武汉科美沃化工有限公司+86-2785736489 +8618171418573 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
Related reactions
5 records
Compound notes
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