2-Aminoindane

HCID 76310CAS 2975-41-9

Substructure search Find similar structures

Basic information

Standard SMILES: NC1Cc2ccccc2C1
InChIKey: LMHHFZAXSANGGM-UHFFFAOYSA-N
Molecular formula: C9H11N
Average molar mass: 133.19 g/mol
Monoisotopic mass: 133.08914935

Overview

RN given refers to parent cpd; structure

Names & identifiers

Preferred name: 2-Aminoindane
IUPAC: 2,3-dihydro-1H-inden-2-amine
English name: Indan-2-amine
Molecular formula: C9H11N
Molecular weight: 133.19

Names & synonyms

2-Aminoindan2975-41-92-AminoindaneIndan-2-amine1P810SQ3EYJ80.606DDTXSID40183902RefChem:85389DTXCID40106393221-021-32,3-dihydro-1H-inden-2-amine2-Indanamine

Show more names

2-AIPV-9Su-8629AKOS BC-0645AURORA KA-7507

INDAN-2-YLAMINE2-Amineindaneindane-2-ylamine1H-Inden-2-amine, 2,3-dihydro-2-indanylamine2,3-Dihydro-1H-inden-2-ylamineRasagiline Impurity 32(2,3-DIHYDRO-1H-INDEN-2-YL)AMINE

Database identifiers

CAS: 2975-41-9
PubChem CID: 76310
DTXSID: DTXSID40183902
ChEMBL: CHEMBL1188176
UNII: 1P810SQ3EY
EC Number: 221-021-3
Nikkaji: J80.606D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Experimental & physicochemical properties

Drugs · 2 items

DEA NFLIS-Drug Category -> Phenethylamines (Aminoindanes) (H)

Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

Physicochemical properties

Melting point: 33 · 33-34 °C
Boiling point: 103 · 103-105
Density: 1.024 g/mL · 1.024 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.561(lit.)
Flash point: 212 °F · 212 °F
pka: 9.21 · 9.21±0.20(Predicted)
Water Solubility: Slightly soluble in water.
CAS DataBase Reference: 2975 · 2975-41-9(CAS DataBase Reference)
FDA UNII: 1 P810SQ3EY · 1P810SQ3EY
NIST Chemistry Reference: 1 h-Inden-2-amine, · 1h-Inden-2-amine, 2,3-dihydro-(2975-41-9)
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Warning
Hazard statements: 301 · H301-H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P309-P310
Hazard Codes: Xi,C,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36
RIDADR: 2735 · UN 2735 8/PG III
WGK Germany: 3 · 3
Hazard Note: Corrosive
HazardClass: IRRITANT
PackingGroup: III
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (91.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (91.2%)

Safety data

wgk: 3
ridadr: UN 2735 8/PG III
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS05,GHS06
hazard_code: Xi,C,Xn
hazard_note: Corrosive
safety_code: 26-36
hazard_class: 8
packing_group: III
Hazard statements: H301-H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P280-P305+P351+P338-P309-P310

Chemistry & industry

Applications · 3 items

Uses2-Aminoindan is an analgesic with sympathomimetic activity. 2-Aminoindan is an inhibitor norepinephrine methyltransferase.

Uses2-Aminoindan is an analgesic with sympathomimetic activity, It is an inhibitor norepinephrine methyltransferase.

General Description2-Aminoindan (2-Aminoindane) is an analog of amphetamine. It shows a potential bronchodilator and analgesic effect. The impact of the intramolecular N-H···Π hydrogen bonding on the conformations of 2-Al has been analyzed.