1-(1-Naphthyl)ethylamine

HCID 98089CAS 3309-13-5

基本情報

標準SMILES: CC(N)c1cccc2ccccc12
InChIKey: RTCUCQWIICFPOD-UHFFFAOYSA-N
分子式: C12H13N
平均分子量: 171.24 g/mol
単同位体質量: 171.10479942

名称と識別子

優先名称: 1-(1-Naphthyl)ethylamine
IUPAC: 1-naphthalen-1-ylethanamine
英語名: 1-(1-naphthyl)ethylamine
分子量: 0

名称と別名

42882-31-51-(1-Naphthyl)ethylamine1-Naphthalenemethanamine, alpha-methyl-DTXSID408858781-NAETAMRefChem:419929DTXCID20889016608-829-51-(naphthalen-1-yl)ethanamine(+/-)1-(1-Naphthyl)ethylamine1-(1-Naphthyl)ethanamine1-(naphthalen-1-yl)ethan-1-amine

名称をさらに表示

1-naphthalen-1-ylethanamine(+/-)-1-(1-Naphthyl)ethylamineDL-1-(1-Naphthyl)ethylamine3309-13-5MFCD00004014DL-alpha-(1-Aminoethyl)naphthaleneR-(+)-1-(1-Naphthyl)ethylamineNSC-75881

データベース識別子

CAS: 3309-13-5、3886-70-2、42882-31-5
PubChem CID: 98089
DTXSID: DTXSID40885878
ChEMBL: CHEMBL217783
UNII: KG25BJ55MX
EC Number: 223-425-5、608-829-5、610-076-2
Nikkaji: J38.936F

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

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301 (71.2%): 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 156 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (70.9%): Toxic if swallowed [Danger Acute toxicity, oral]

危険有害性情報

Regulatory Information · 4 件

Status: Active Update: 08-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21715

Status: Active Update: 10-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21988

1-Naphthalenemethanamine, .alpha.-methyl-, (.alpha.R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

1-Naphthalenemethanamine, .alpha.-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 3 件

Acute Tox. 3 (71.2%)

Acute Tox. 3 (70.9%)

Acute Tox. 3 (100%)