CAS 94568-76-0 1,1,3-Trimethylindan-4-amine (HCID 11217541)

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Basic information

CAS: 94568-76-0
Standard SMILES: CC1CC(C)(C)c2cccc(N)c21
InChIKey: KYWYAWFSWFSPAY-UHFFFAOYSA-N
Molecular formula: C12H17N
Average molar mass: 175.27 g/mol
Monoisotopic mass: 175.13609954

Names & identifiers

Preferred name: 1,1,3-Trimethylindan-4-amine
IUPAC: 1,1,3-trimethyl-2,3-dihydroinden-4-amine
English name: 1,1,3-Trimethyl-2,3-dihydro-1H-inden-4-amine
Molecular formula: C12H17N
Molecular weight: 175.27

Names & synonyms

94568-76-01,1,3-Trimethylindan-4-amineRefChem:409648838-724-11,1,3-trimethyl-2,3-dihydro-1H-inden-4-amine4-amino-1,1,3-trimethylindane1,1,3-Trimethyl-indan-4-ylamine1,1,3-trimethyl-2,3-dihydroinden-4-amineMFCD206912241H-Inden-4-amine, 2,3-dihydro-1,1,3-trimethyl-SCHEMBL27798681,1,3-Trimethyl-4-aminoindan

Show more names

SCHEMBL295221601,1,3-trimethyl-4-aminoindane1,1,3-trimethylindane-4-amineKYWYAWFSWFSPAY-UHFFFAOYSA-NDTXSID901377778UDA56876AKOS025148677SB40149

Database identifiers

CAS: 94568-76-0
PubChem CID: 11217541
DTXSID: DTXSID901377778
EC Number: 838-724-1
Nikkaji: J3.791.346D

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 197

Physicochemical properties

Boiling point: 264.4 ℃ · 264.4℃ at 101.33kPa
Density: 0.98 at · 0.98 at 20℃
vapor pressure: 0.2 · 0.2-0.39Pa at 20-25℃
form: Liquid
pka: 4.52 · 4.52±0.60(Predicted)
LogP: 3.5 at · 3.5 at 25℃ and pH7-10
Surface tension: 43.1 mN/m · 43.1mN/m at 372mg/L and 20℃
Symbol(GHS): 7 · GHS07,GHS02,GHS08,GHS09
Signal word: Danger
Hazard statements: 315 · H315-H411-H373-H302-H304-H225-H319-H361d-H317
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P260-P314-P501-P264-P270-P301+P312-P330-P501
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (66.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P330, P331, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 15-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31855

Hazard Classes and CategoriesFlam. Liq. 2 (66.7%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS02,GHS08,GHS09
Hazard statements: H315-H411-H373-H302-H304-H225-H319-H361d-H317
REACH Registrations: Active
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P260-P314-P501-P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Uses4-Amino-1,1,3-trimethylindane is used as a reagent in the synthesis of (difluoromethylnicotinic)indanyl carboxamides as fungicides useful in crop protection.