6-amino-2,3-dihydro-1H-inden-1-one

HCID 312895

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Substructure search Find similar structures

Basic information

CAS: 69975-65-1
Standard SMILES: Nc1ccc2c(c1)C(=O)CC2
InChIKey: UOJCPAAEKXNPQT-UHFFFAOYSA-N
Molecular formula: C9H9NO
Average molar mass: 147.17 g/mol
Monoisotopic mass: 147.06841391

Names & identifiers

Preferred name: 6-amino-2,3-dihydro-1H-inden-1-one
IUPAC: 6-amino-2,3-dihydroinden-1-one
English name: 6-Aminoindanone
Molecular formula: C9H9NO
Molecular weight: 147.17

Names & synonyms

6-Amino-2,3-dihydro-1H-inden-1-oneRefChem:540118695-954-369975-65-16-AMINOINDANONE6-amino-1-indanone6-Aminoindan-1-one6-amino-2,3-dihydroinden-1-oneMFCD00100747AKOS005070053SY016791EN300-83976

Show more names

6-amino-1-indone6-Aminoindan-1-on6-Amino-1-indenone6-AMino-1-oxoindaneDisulfiram Impurity 13(Ethiolate)

Z12016190966-Amino-indan-1-one1H-Inden-1-one, 6-amino-2,3-dihydro-6-amino indanoneNSC2251006-amino-indan-1 -oneA92476-aminoindanone, AldrichCPR

Database identifiers

CAS: 69975-65-1
PubChem CID: 312895
DTXSID: DTXSID20310310
EC Number: 695-954-3

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 178

Physicochemical properties

Melting point: 167 · 167-171 °C(Solv: methanol (67-56-1))
Boiling point: 330.3 · 330.3±31.0 °C(Predicted)
Density: 1.254 · 1.254±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: Solution
pka: 3.85 · 3.85±0.20(Predicted)
color: Light brown to black
InChI: InChI=1S/C9H9NO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4,10H2
InChIKey: UOJCPAAEKXNPQT-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC(N)=C2)CC1
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 310 · H310+H330-H301-H315-H319-H227
Precautionary statements: 501 · P501-P260-P270-P262-P210-P271-P264-P280-P284-P370+P378-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P310-P304+P340+P310-P403+P233-P403+P235-P405
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
RIDADR: 2811 · 2811
HazardClass: IRRITANT
PackingGroup: Ⅲ
HS Code: 29223900 · 29223900

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: 2811
hs_code: 29223900
risk_code: 25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
safety_code: 45
hazard_class: IRRITANT
packing_group: Ⅲ
Hazard statements: H310+H330-H301-H315-H319-H227
Precautionary statements: P501-P260-P270-P262-P210-P271-P264-P280-P284-P370+P378-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P310-P304+P340+P310-P403+P233-P403+P235-P405

Chemistry & industry

Applications · 1 item

Uses6-Amino-1-indanone is a synthetic compound belonging to the indanone class. It is an ethylene oxide synthesized via a multi-step process involving the dehydration and reductive amination of an amine. In organic chemistry, it is used as an intermediate in the synthesis of various other compounds, such as serotonin. This compound exhibits an affinity for palladium catalysts during reductive amination, which can be used for sequence optimization experiments.