Benzoic acid, 2,6-diamino-
Basic information
- CAS
102000-59-9- Standard SMILES
Nc1cccc(N)c1C(=O)O- InChIKey
CIEFZSDJGQKZNS-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- Benzoic acid, 2,6-diamino-
- IUPAC
- 2,6-diaminobenzoic acid
- English name
- Benzoic acid, 2,6-diamino- (6CI,9CI)
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
2,6-Diaminobenzoic acidBenzoic acid, 2,6-diamino-CCRIS 3029DTXSID10144525RefChem:326569DTXCID4067016102000-59-9Benzoic acid, 2,6-diamino- (6CI,9CI)2,6-DIAMINOBENZOICACIDSCHEMBL1000014MFCD01661065AKOS006276192
Show more names
SB76141DB-274429H61955
Database identifiers
- CAS
102000-59-9- PubChem CID
- 149137
- DTXSID
DTXSID10144525- Nikkaji
- J1.015.936I
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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