2-Propanamine, 2-methyl-1-(methylthio)-

HCID 12097380

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 36567-04-1
標準SMILES: CSCC(C)(C)N
InChIKey: YNOFOVLFZVOJQP-UHFFFAOYSA-N
分子式: C5H13NS
平均分子量: 119.23 g/mol
単同位体質量: 119.07687042

名称と識別子

優先名称: 2-Propanamine, 2-methyl-1-(methylthio)-
IUPAC: 2-methyl-1-methylsulfanylpropan-2-amine
英語名: 2-methyl-1-(methylthio)-2-Propanamine
分子式: C5H13NS
分子量: 119.23

名称と別名

2-Propanamine, 2-methyl-1-(methylthio)-RefChem:478319468-080-336567-04-12-methyl-1-(methylthio)propan-2-amine2-methyl-1-(methylthio)-2-Propanamine2-methyl-1-(methylsulfanyl)propan-2-amine2-methyl-1-methylsulfanylpropan-2-amineMFCD166209902-methyl-1-methylthio-2-propanamine2-methyl-1-methylthio-2-propylamine2-Propanamine,2-methyl-1-(methylthio)-

名称をさらに表示

1.1-Dimethyl-2-Methylthio Ethanamine2-Methyl-1-(methylsulfanyl)-2-propanamine2-methyl-1-(methylthio)-2-Propanamine 99%Hot Sale 2-methyl-1-(methylsulfanyl)propan-2-amine，1-Methylthio-2-methyl-2-propylamine

SCHEMBL551529SCHEMBL10713521DTXSID804774931,1-dimethyl-2-methylthioethyl-amineAKOS0063399091,1-dimethyl-2-(methylthio)ethylamine2-methyl-1-methylsulfanyl-propan-2-amineBS-52985

データベース識別子

CAS: 36567-04-1
PubChem CID: 12097380
DTXSID: DTXSID80477493
EC Number: 468-080-3
Nikkaji: J2.260.637I

物性

構造計算による物性

XLogP: 0.6
極性表面積: 51.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 52

物理化学的性質

貯蔵温度: 2 · 2-8°C, protect from light, stored under nitrogen
InChI: InChI=1S/C5H13NS/c1-5(2,6)4-7-3/h4,6H2,1-3H3
InChIKey: YNOFOVLFZVOJQP-UHFFFAOYSA-N
SMILES: C(SC)C(C)(N)C

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.