Basic information
- Standard SMILES
Nc1ccc2c(c1)CCC2- InChIKey
LEWZOBYWGWKNCK-UHFFFAOYSA-N- Molecular formula
- C9H11N
- Average molar mass
- 133.19 g/mol
- Monoisotopic mass
- 133.08914935
Names & identifiers
- Preferred name
- Indan-5-amine
- IUPAC
- 2,3-dihydro-1H-inden-5-amine
- English name
- 5-Aminoindan
- Molecular formula
- C9H11N
- Molecular weight
- 133.19
Names & synonyms
5-Aminoindan24425-40-9Indan-5-amineY4Z93Y93WJEINECS 246-241-7DTXSID80179182RefChem:790889DTXCID10101673246-241-72,3-dihydro-1H-inden-5-amine5-Indanamineindan-5-ylamine
Show more names
AminoindanAKOS 911375-Indanylamine5-Aminoindan,97%5-AMinoindan 95%
5-AMINOINDANE1H-Inden-5-amine, 2,3-dihydro-5-AminohydrindeneMFCD00003803indane-5-ylamine5-Amino-indan5-Aminoindan, 95%LEWZOBYWGWKNCK-UHFFFAOYSA-
Database identifiers
- CAS
24425-40-9- PubChem CID
- 90496
- DTXSID
DTXSID80179182- UNII
- Y4Z93Y93WJ
- EC Number
- 246-241-7
- Nikkaji
- J88.261E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 34 · 34-36 °C(lit.)
- Boiling point
- 247 · 247-249 °C745 mm Hg(lit.)
- Density
- 0.9222 · 0.9222 (rough estimate)
- refractive index
- 1.46 · 1.4600 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 0 · 0-10°C
- pka
- 5.17 · 5.17±0.20(Predicted)
- form
- Crystalline Solid
- color
- Brown
- Water Solubility
- SLIGHTLY SOLUBLE
- BRN
- 2082278 · 2082278
- InChI
- InChI=1S/C9H11N/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,10H2
- InChIKey
- LEWZOBYWGWKNCK-UHFFFAOYSA-N
- SMILES
- C1C2=C(C=C(N)C=C2)CC1
- CAS DataBase Reference
- 24425 · 24425-40-9(CAS DataBase Reference)
- FDA UNII
- 4 Z93Y93WJ · Y4Z93Y93WJ
- NIST Chemistry Reference
- 5 · 5-Aminoindan(24425-40-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36-36/37
- WGK Germany
- 3 · 3
- PackingGroup
- III
- HS Code
- 29214900 · 29214900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29214900
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36-36/37
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Chemistry & industry
Applications
Uses5-Aminoindan was used in the synthesis of ligand 18/18 (2-(5-aminoindan)-6-(5-aminoindan)-4-chloro-s-triazine).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
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