Basic information
- CAS
69981-57-3- Standard SMILES
CC(N)=NCc1ccccc1- InChIKey
TVGAZFIPLVKCJM-UHFFFAOYSA-N- Molecular formula
- C9H12N2
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.10004839
Names & identifiers
- Preferred name
- n-Benzylacetamidine
- IUPAC
- N'-benzylethanimidamide
Names & synonyms
n-benzylacetamidine69981-57-3N-benzylacetimidamideN'-benzylethanimidamideN-(Phenylmethyl)ethanimidamideT4S5AN8ZSQSCHEMBL5754950CHEMBL1186433SCHEMBL13120816SCHEMBL14291059SCHEMBL20675953TVGAZFIPLVKCJM-UHFFFAOYSA-N
Show more names
DTXSID301370150Ethanimidamide, N-(phenylmethyl)-AKOS011325235N'-(PHENYLMETHYL)ETHANIMIDAMIDE
Database identifiers
- CAS
69981-57-3- PubChem CID
- 445678
- DTXSID
DTXSID301370150- ChEMBL
CHEMBL1186433- UNII
- T4S5AN8ZSQ
- Nikkaji
- J804.841J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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