CAS 10420-89-0 1-Naphthalenemethanamine, alpha-methyl-, (alphaS)- (HCID 66325)

概要

See also: (1S)-1-Naphthylethylamine (annotation moved to).

名称と識別子

優先名称: 1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-
IUPAC: (1S)-1-naphthalen-1-ylethanamine
現地名: (S)-(-)-1-(1-ナフチル)エチルアミン
英語名: (S)-(-)-1-(1-Naphthyl)ethylamine
分子式: C12H13N
分子量: 171.24

名称と別名

(S)-(-)-1-(1-Naphthyl)ethylamine(S)-alpha-Methyl-1-naphthalenemethanamine(-)-1-(1-naphthyl)ethylamineAI3-268581-Naphthalenemethanamine, alpha-methyl-, (alphaS)-DTXSID2010145491-Naphthalenemethanamine, alpha-methyl-, (S)-(-)-1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)-RefChem:434793DTXCID701437122600-536-010420-89-0

名称をさらに表示

(S)-(-)-1-(1-ナフチル)エチルアミン(-)-1-[(S)-1-アミノエチル]ナフタレン(S)-1-(1-ナフチル)エチルアミン(S)-α-(1-ナフチル)エタンアミン(αS)-α-メチル-1-ナフタレンメタンアミン[S,(-)]-α-メチル-1-ナフタレンメタンアミン(αS)-α-メチルナフタレン-1-メタンアミン(1S)-1-(1-ナフチル)エタンアミン(S)-1-(1-ナフチル)エタンアミン[(S)-1-(1-ナフチル)エチル]アミン[S,(-)]-1-(1-ナフチル)エチルアミン[(S)-α-(1-ナフチル)エチル]アミン(S)-α-メチルナフタレン-1-メタンアミン(S)-α-メチル-1-ナフタレンメタンアミン(S)-(-)-α-(1-ナフチル)エチルアミン(S)-(-)-α-(1-アミノエチル)ナフタレン(S)‐(-)‐1‐(1‐ナフチル)エチルアミン(S)-(−)-1-(1-ナフチル)エチルアミンCinacalcet-22Cinacalcet Impurity 35Cinacalcet Impurity 731-(1-Naphthyl)ethanamineL-A-(1-NAPHTHYL)ETHYLAMINE(S) 1-(1-NAPTHYL)ETHYLAMINE(s)-1-naphthalenemethanamin

(1S)-1-(Naphthalen-1-Yl)Ethan-1-Amine(S)-1-(naphthalen-1-yl)ethanamineMFCD00064179(1S)-1-(1-naphthyl)ethanamine(1S)-1-naphthalen-1-ylethanamine(S)-(-)-alpha-(1-Naphthyl)ethylamine(S)-1-(1-Naphthyl)ethylamineCinacalcet Impurity 58

データベース識別子

CAS: 10420-89-0
PubChem CID: 66325
DTXSID: DTXSID201014549
UNII: XNJ82A6G3C
EC Number: 600-536-0
Nikkaji: J53.227D

物性

構造計算による物性

XLogP: 2.8
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: 1
重原子数: 13
形式電荷: 0
複雑度: 167

物理化学的性質

沸点: 153 °C/11 · 153 °C/11 mmHg (lit.)
比旋光度: -60 · -60 º (C=2, MEOH)
比重(密度): 1.067 g/mL · 1.067 g/mL at 20 °C (lit.)
屈折率: 20 · n20/D 1.623(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム、エタノールに可溶。
外見: 液体
酸解離定数(Pka): 9.26 · 9.26±0.40(Predicted)
色: 茶色
BRN: 2208024 · 2208024
InChI: 1S/C12H13N/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-9H,13H2,1H3/t9-/m0/s1
InChIKey: RTCUCQWIICFPOD-VIFPVBQESA-N
SMILES: C[C@H](N)c1cccc2ccccc12
CAS データベース: 10420 · 10420-89-0(CAS DataBase Reference)
NISTの化学物質情報: (S)-(-)-«alpha»-(1-naphthyl)ethylamine(10420-89-0)
EPAの化学物質情報: 1 · 1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)- (10420-89-0)

化学的性質 · 1 件

化学的特性(S)-(-)-1-(1-Naphthyl)ethylamine is a colourless to light orange to yellow transparent liquid, hygroscopicity, thermal sensitivity. Density: 1.067 g/mL (lit.) at 20 °C; Boiling Point: 125 °C/3 mmHg; Specific Gravity (20/20): 1.07; Refractive Index: 1.62. Store under inert gas. It can undergo substitution reactions.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (71%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 155 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (71%)

安全データ

F: 10-34
wgk: 3
tsca: TSCA listed
rtecs: QJ6963000
ridadr: 2735
hs_code: 29214990
risk_code: 36/37/38
化審法: (4)-1343
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing Information1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.S)-: ACTIVE

応用分野 · 1 件

説明(S)-(-)-1-(1-Naphthyl)ethylamine is an organic compound used as a raw material for organic synthesis. Chiral moieties were connected to the heteroatom-bridged calix-triazin scaffold by reactions of (S)- or (R)-(+)-1-(1-Naphthyl)ethylamine with tetraazacalix[4]arene[2]triazine.

調製方法 · 1 件

純化方法Purify the amine by distillation in a good vacuum. [Mori et al. Tetrahedron 37 1343 1981, cf Wilson in Topics Stereochem (Allinger and Eliel eds) v o l 6 135 1971, Fredga et al. Acta Chem Scand 11 1609 1957.] The hydrochlorides crystallise from H2O [] D 18 ±3.9o (c 3, H2O), and the sulfates recrystallise from H2O as tetrahydrates m 230-232o. The RS-amine has b 153o/11mm, 156o/15mm, 183.5o/41mm [Blicke & Maxwell J Am Chem Soc 6 1 1780 1939]. [Beilstein 12 III 3111.]