4-Aminoindan

HCID 122569

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 32202-61-2
Standard SMILES: Nc1cccc2c1CCC2
InChIKey: RXTJLDXSGNEJIT-UHFFFAOYSA-N
Molecular formula: C9H11N
Average molar mass: 133.19 g/mol
Monoisotopic mass: 133.08914935

Names & identifiers

Preferred name: 4-Aminoindan
IUPAC: 2,3-dihydro-1H-inden-4-amine
English name: 4-AMINOINDAN
Molecular formula: C9H11N
Molecular weight: 133.19

Names & synonyms

32202-61-24-AminoindanIndan-4-amine4-Aminoindane1H-Inden-4-amine, 2,3-dihydro-3XLG4R478FEINECS 250-950-7NSC-76664DTXSID30185975NSC 76664RefChem:518238DTXCID70108466

Show more names

4-AMinoindan 97%indan-4-amine - [K86481]

250-950-72,3-dihydro-1H-inden-4-amine4-IndanamineMFCD00082598indan-4-ylamine4-amino-indane4-amino-indanindan-4-yl-amine

Database identifiers

CAS: 32202-61-2
PubChem CID: 122569
DTXSID: DTXSID30185975
UNII: 3XLG4R478F
EC Number: 250-950-7
Nikkaji: J88.785D

Properties

Computed structural properties

XLogP: 2.1
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

Physicochemical properties

Melting point: 9 ℃ · 9℃
Boiling point: 90 · 90-92 °C (lit.)
Density: 1.102 g/mL · 1.102 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.592(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), DMSO (Slightly)
form: liquid
pka: 4.49 · 4.49±0.20(Predicted)
color: Yellow (material may darken on storage)
InChI: InChI=1S/C9H11N/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5,10H2
InChIKey: RXTJLDXSGNEJIT-UHFFFAOYSA-N
SMILES: C1C2=C(C(N)=CC=C2)CC1
CAS DataBase Reference: 32202 · 32202-61-2
FDA UNII: 3 XLG4R478F · 3XLG4R478F
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
WGK Germany: 3 · 3
HS Code: 2921490090 · 2921490090
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 2921490090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Aminoindan was used in the synthesis of 4,5-dihydro-N-(2,3-dihydro-1H-inden-4-yl)oxazol-2-amine and 1-(2-chloroethyl)-3-(2,3-dihydro-1H-inden-4-yl)urea.

General Description4-Aminoindan undergoes nucleophlic addition reaction with 2-chloroacetylisocyanate to yield 1-(2-chloroacetyl)-3-(2,3-dihydro-1H-inden-4-yl)-urea.

Upstream & downstream products

Upstream raw materials

Downstream products

4-INDANOL 7-Amino-2,3-dihydro-1H-inden-4-ol

Suppliers78 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

Related reactions

23 records

New reaction record

HRID 59603As reactantuspto-grants-2016_09

HRID 142760As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 282349As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 308666As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 383898As reactantuspto-grants-2013_02

HRID 507063As reactantuspto-grants-2010_08

HRID 677300As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 822794As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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