N-(1,3-Benzodioxol-5-ylmethyl)guanidine
Basic information
- CAS
19889-44-2- Standard SMILES
NC(N)=NCc1ccc2c(c1)OCO2- InChIKey
QVBNBQQABMECQB-UHFFFAOYSA-N- Molecular formula
- C9H11N3O2
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.0851266
Names & identifiers
- Preferred name
- N-(1,3-Benzodioxol-5-ylmethyl)guanidine
- IUPAC
- 2-(1,3-benzodioxol-5-ylmethyl)guanidine
Names & synonyms
19889-44-2n-(1,3-benzodioxol-5-ylmethyl)guanidineRefChem:3598161-(1,3-benzodioxol-5-ylmethyl)guanidine2-(1,3-benzodioxol-5-ylmethyl)guanidineN-Benzo[1,3]dioxol-5-ylmethylguanidine1-(benzo[d][1,3]dioxol-5-ylmethyl)guanidineMFCD05022502N-[(2H-1,3-benzodioxol-5-yl)methyl]guanidine2-(Benzo[d][1,3]dioxol-5-ylmethyl)guanidineNSC664536guanidine, N-(1,3-benzodioxol-5-ylmethyl)-, sulfuric acid (2:1)
Show more names
n-benzo[1,3]dioxol-5-ylmethyl-guanidineCHEMBL468933SCHEMBL4015808SCHEMBL27298228SCHEMBL30496722QVBNBQQABMECQB-UHFFFAOYSA-NDTXSID901279037ALBB-013076
Database identifiers
- CAS
19889-44-2- PubChem CID
- 28410
- DTXSID
DTXSID901279037- ChEMBL
CHEMBL468933
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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