1,1,3-Trimethylindan-4-amine

HCID 11217541

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 94568-76-0
標準SMILES: CC1CC(C)(C)c2cccc(N)c21
InChIKey: KYWYAWFSWFSPAY-UHFFFAOYSA-N
分子式: C12H17N
平均分子量: 175.27 g/mol
単同位体質量: 175.13609954

名称と識別子

優先名称: 1,1,3-Trimethylindan-4-amine
IUPAC: 1,1,3-trimethyl-2,3-dihydroinden-4-amine
英語名: 1,1,3-Trimethyl-2,3-dihydro-1H-inden-4-amine
分子式: C12H17N
分子量: 175.27

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.3
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 197

物理化学的性質

沸点: 264.4 ℃ · 264.4℃ at 101.33kPa
比重(密度): 0.98 at · 0.98 at 20℃
蒸気圧: 0.2 · 0.2-0.39Pa at 20-25℃
外見: Liquid
酸解離定数(Pka): 4.52 · 4.52±0.60(Predicted)
LogP: 3.5 at · 3.5 at 25℃ and pH7-10
表面張力: 43.1 mN/m · 43.1mN/m at 372mg/L and 20℃

安全と法規制

GHS分類

GHS Classification · 4 件

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.