1,3-Diiminoisoindoline
Properties
- Molecular formula
- C8H7N3
- Molar mass
- 145.16 g/mol
- Exact mass
- 145.0640 Da
- logP
- 0.73Crippen estimate
- Polar surface area
- 62.2 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed76.3% of notifiers
- H311 Toxic in contact with skin54.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction21.6% of notifiers
- H318 Causes serious eye damage98.9% of notifiers
- H335 May cause respiratory irritation23.7% of notifiers
- H351 Suspected of causing cancer54.7% of notifiers
- H411 Toxic to aquatic life with long lasting effects21.6% of notifiers
Aggregated from 190 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
57500-34-2SMILES
C1=CC=C2C(=C1)C(=NC2=N)NInChIKey
RZVCEPSDYHAHLX-UHFFFAOYSA-NInChI
InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1H-Isoindol-3-amine, 1-imino-
Work with 1,3-Diiminoisoindoline
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
N-Phenylbenzamidine1527-91-933 % similar
Phthalamide88-96-033 % similar
N'-Hydroxy-2-(4-morpholinyl)benzenecarboximidamide1021243-96-833 % similar
Anthranilamide88-68-631 % similar
2-(Diethylamino)-N'-hydroxybenzenecarboximidamide1021244-00-731 % similar
N'-Hydroxy-2-(4-methyl-1-piperidinyl)-benzenecarboximidamide1021243-87-730 % similar
Fluorenone hydrazone13629-22-630 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.