Guanidine, N-(2-chloro-3-pyridinyl)-N'-cyano-N''-(1,1-dimethylethyl)-
Basic information
- CAS
60560-11-4- Standard SMILES
CC(C)(C)N=C(NC#N)Nc1cccnc1Cl- InChIKey
NSHPBHKUFWVLSB-UHFFFAOYSA-N- Molecular formula
- C11H14ClN5
- Average molar mass
- 251.71 g/mol
- Monoisotopic mass
- 251.0937732
Names & identifiers
- Preferred name
- Guanidine, N-(2-chloro-3-pyridinyl)-N'-cyano-N''-(1,1-dimethylethyl)-
- IUPAC
- 2-tert-butyl-1-(2-chloro-3-pyridinyl)-3-cyanoguanidine
Names & synonyms
60560-11-4Guanidine, N-(2-chloro-3-pyridinyl)-N'-cyano-N''-(1,1-dimethylethyl)-RefChem:1086282NSC315859BRN 0484409Guanidine, 1-tert-butyl-3-(2-chloro-3-pyridyl)-2-cyano-CHEMBL89352DTXSID70975993N-(2-Chloro-3-pyridinyl)-N'-cyano-N''-(1,1-dimethylethyl)guanidineNSC 315859NSC-3158595-22-09-00091 (Beilstein Handbook Reference)
Show more names
N-tert-Butyl-N'-(2-chloropyridin-3-yl)-N''-cyanoguanidine
Database identifiers
- CAS
60560-11-4- PubChem CID
- 100535
- DTXSID
DTXSID70975993- ChEMBL
CHEMBL89352
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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