Basic information
- CAS
172174-04-8- Standard SMILES
NC(CCc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1- InChIKey
QTRWITHPFNVZEQ-UHFFFAOYSA-N- Molecular formula
- C17H17N5
- Average molar mass
- 291.35 g/mol
- Monoisotopic mass
- 291.14839556
Names & identifiers
- Preferred name
- 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine
- IUPAC
- 1,3-bis(1H-benzimidazol-2-yl)propan-1-amine
- English name
- 1,3-BIS(1H-BENZIMIDAZOL-2-YL)PROPAN-1-AMINE
- Molecular formula
- C17H17N5
- Molecular weight
- 291.35
Names & synonyms
1,3-bis(1H-benzimidazol-2-yl)propan-1-amine172174-04-81,3-Bis(1H-benzo[d]imidazol-2-yl)propan-1-amineHMS1604D03AKOS003573810AKOS016846266CS-03368671,3-di(1H-benzimidazol-2-yl)propan-1-amine
Database identifiers
- CAS
172174-04-8- PubChem CID
- 2772763
- Nikkaji
- J886.408J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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