(+-)-1-Aminoindan

HCID 123445

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Basic information

CAS: 34698-41-4
Standard SMILES: NC1CCc2ccccc21
InChIKey: XJEVHMGJSYVQBQ-UHFFFAOYSA-N
Molecular formula: C9H11N
Average molar mass: 133.19 g/mol
Monoisotopic mass: 133.08914935

Names & identifiers

Preferred name: (+-)-1-Aminoindan
IUPAC: 2,3-dihydro-1H-inden-1-amine
English name: 1-Aminoindan
Molecular formula: C9H11N
Molecular weight: 133.19

Names & synonyms

1-Aminoindan34698-41-4DTXSID20902754(+-)-1-AminoindanRefChem:429433DTXCID908950082,3-dihydro-1H-inden-1-amine1-Indanamine1-AminoindaneINDAN-1-AMINEIndan-1-ylamine61949-83-5

Show more names

1-Indamine1-Aminoinden1-Iminoindane1-Aminoindan 98%(n)-1-aminoindan

MFCD00003799aminoindanindanylamine1-amino-indanerac-1-aminoindane1H-Inden-1-amine, 2,3-dihydro-8UP8M3CGS8NCIOpen2_000245

Database identifiers

CAS: 34698-41-4、61949-83-5
PubChem CID: 123445
DTXSID: DTXSID20902754
ChEMBL: CHEMBL158574
UNII: 8UP8M3CGS8
EC Number: 252-158-7、925-175-9
Nikkaji: J88.962H

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: 15 °C · 15 °C (lit.)
Boiling point: 96 · 96-97 °C/8 mmHg (lit.)
Density: 1.038 g/mL · 1.038 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.562
Flash point: 202 °F · 202 °F
storage temp.: 2 · 2-8°C
solubility: insoluble
pka: 9.21 · 9.21(at 22℃)
form: Liquid
color: Clear colorless to light yellow to green
Water Solubility: insoluble
Sensitive: Air Sensitive
BRN: 3196205 · 3196205
InChI: 1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2
InChIKey: XJEVHMGJSYVQBQ-UHFFFAOYSA-N
SMILES: NC1CCc2ccccc12
CAS DataBase Reference: 34698 · 34698-41-4(CAS DataBase Reference)
FDA UNII: 8 UP8M3CGS8 · 8UP8M3CGS8
NIST Chemistry Reference: 1 · 1-Aminoindan(34698-41-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39-36/37/39
WGK Germany: 3 · 3
F: 8 · 8-10-34
HazardClass: IRRITANT
HS Code: 29214980 · 29214980
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.