Basic information
- Standard SMILES
Nc1ncccc1NCc1ccccc1- InChIKey
MUKAGFLFIMVSQN-UHFFFAOYSA-N- Molecular formula
- C12H13N3
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.11094742
Names & identifiers
- Preferred name
- N~3~-Benzylpyridine-2,3-diamine
- IUPAC
- 3-N-benzylpyridine-2,3-diamine
- English name
- N3-Benzyl-pyridine-2,3-diamine
- Molecular formula
- C12H13N3
- Molecular weight
- 199.25
Names & synonyms
N3-benzylpyridine-2,3-diamine79707-12-3N~3~-Benzylpyridine-2,3-DiamineDTXSID40439234RefChem:854992DTXCID20390056N~3~-Benzyl-2,3-pyridinediamine3-N-benzylpyridine-2,3-diamineMFCD116158002-amino-3-benzylaminopyridineN3-Benzyl-2,3-pyridinediamine2,3-pyridinediamine, N~3~-(phenylmethyl)-
Show more names
(2-amino-3-pyridyl)-(benzyl)amineN'-(phenylmethyl)pyridine-2,3-diamineN~3~-benzyl-2,3-pyridinediamine(SALTDATA: FREE)
8APN3-BENZYL-PYRIDINE-2,3-DIAMINEN'-benzylpyridine-2,3-diamineaminopyridine 32ohmCHEMBL435747SCHEMBL11069733BDBM15781
Database identifiers
- CAS
79707-12-3- PubChem CID
- 10397869
- DTXSID
DTXSID40439234- ChEMBL
CHEMBL435747- Nikkaji
- J652.406K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Related reactions
2 records
Linked notes
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