N-Cyclopropylguanidine
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Basic information
- CAS
168627-33-6- Standard SMILES
NC(N)=NC1CC1- InChIKey
AYTUUEWDUBHMBC-UHFFFAOYSA-N- Molecular formula
- C4H9N3
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.0796473
Names & identifiers
- Preferred name
- N-Cyclopropylguanidine
- IUPAC
- 2-cyclopropylguanidine
- English name
- N-cyclopropylguanidine(SALTDATA: AcOH)
- Molecular formula
- C4H9N3
- Molecular weight
- 99.13
Names & synonyms
N-Cyclopropylguanidine168627-33-61-cyclopropylguanidine2-cyclopropylguanidineN-cyclopropylguanidine(SALTDATA: AcOH)aminocyclopropylcarboxamidineN-Cyclopropyl-guanidineGuanidine, cyclopropyl-cyclopropyl guanidineSCHEMBL1588520SCHEMBL1797776SCHEMBL1797777
Show more names
cyclopropylguanidineGuanidine, N-cyclopropyl-1-Cyclopropylguanidine hydrochloride
N''-CYCLOPROPYLGUANIDINEDTXSID90397850AYTUUEWDUBHMBC-UHFFFAOYSA-NALBB-005174SBB018674STK164641AKOS000321394ST092202
Database identifiers
- CAS
168627-33-6- PubChem CID
- 3900439
- DTXSID
DTXSID90397850
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 89.1
Physicochemical properties
- Boiling point
- 161.3 · 161.3±23.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 13.66 · 13.66±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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