2-Amino-6-methylbenzaldehyde

HCID 23046538CAS 99646-81-8

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cccc(N)c1C=O
InChIKey: FETAMGUXMBZISE-UHFFFAOYSA-N
Molecular formula: C8H9NO
Average molar mass: 135.16 g/mol

Names & identifiers

Preferred name: 2-Amino-6-methylbenzaldehyde
IUPAC: 2-amino-6-methylbenzaldehyde
English name: Benzaldehyde, 2-amino-6-methyl-
Molecular formula: C8H9NO
Molecular weight: 135.16

Names & synonyms

2-amino-6-methylbenzaldehyde99646-81-82-AMINO-6-METHYL-BENZALDEHYDEBenzaldehyde, 2-amino-6-methyl-MFCD183898052-formyl-amino-toluene2-methyl-6-aminobenzaldehydeSCHEMBL3363239SCHEMBL6149952FETAMGUXMBZISE-UHFFFAOYSA-NAKOS006340739DB-182045

Show more names

F15844F858797

Database identifiers

CAS: 99646-81-8
PubChem CID: 23046538
EC Number: 184-165-5

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 124

Physicochemical properties

storage temp.: 2 · 2-8°C, protect from light, stored under nitrogen
Appearance: Light yellow to yellow Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.