3-Aminosalicylamide

HCID 11378596

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Basic information

CAS: 467231-62-5
Standard SMILES: NC(=O)c1cccc(N)c1O
InChIKey: KHGLJFGSFNGDCE-UHFFFAOYSA-N
Molecular formula: C7H8N2O2
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.0585775

Names & identifiers

Preferred name: 3-Aminosalicylamide
IUPAC: 3-amino-2-hydroxybenzamide
English name: Benzamide, 3-amino-2-hydroxy- (9CI)
Molecular formula: C7H8N2O2
Molecular weight: 152.15

Names & synonyms

3-aminosalicylamide467231-62-5DTXSID80463992RefChem:276682DTXCID104148113-AMINO-2-HYDROXYBENZAMIDEBENZAMIDE, 3-AMINO-2-HYDROXY-SCHEMBL2019650SCHEMBL7750245KHGLJFGSFNGDCE-UHFFFAOYSA-NMB25600DB-273674

Show more names

Benzamide, 3-amino-2-hydroxy- (9CI)

Database identifiers

CAS: 467231-62-5
PubChem CID: 11378596
DTXSID: DTXSID80463992
EC Number: 185-944-2

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 89.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 161

Physicochemical properties

Boiling point: 313.4 · 313.4±37.0 °C(Predicted)
Density: 1.397 · 1.397±0.06 g/cm3(Predicted)
pka: 8.15 · 8.15±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.