Basic information
- CAS
13845-72-2- Standard SMILES
CCN(CC)CCN=C(N)N- InChIKey
QFRWGXWELVGRFZ-UHFFFAOYSA-N- Molecular formula
- C7H18N4
- Average molar mass
- 158.25 g/mol
- Monoisotopic mass
- 158.15314659
Names & identifiers
- Preferred name
- N-(2-Diethylamino-ethyl)-guanidine
- IUPAC
- 2-[2-(diethylamino)ethyl]guanidine
- English name
- N-(2-Diethylamino-ethyl)-guanidine
- Molecular formula
- C7H18N4
- Molecular weight
- 158.24
Names & synonyms
13845-72-2N-(2-DIETHYLAMINO-ETHYL)-GUANIDINE1-(2-(Diethylamino)ethyl)guanidine2-[2-(diethylamino)ethyl]guanidineGuanidine, N-[2-(diethylamino)ethyl]-N-(2-diethylaminoethyl)guanidineGuanidine,N-[2-(diethylamino)ethyl]-diethylaminoethyl guanidineSCHEMBL1176617SCHEMBL28345364DTXSID30274616N-(2-Diethylamino-ethyl)guanidine
Show more names
N-[2-(diethylamino)ethyl]guanidineAKOS011644141N''-[2-(Diethylamino)ethyl]guanidineSB33250
Database identifiers
- CAS
13845-72-2- PubChem CID
- 18645
- DTXSID
DTXSID30274616
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 229.9 · 229.9±42.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 13.31 · 13.31±0.70(Predicted)
Chemistry & industry
Suppliers2 total
上海智乾生物科技有限公司[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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