Methyl((4-methylnaphthalen-1-yl)methyl)amine

HCID 64430424

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 98978-50-8
標準SMILES: CNCc1ccc(C)c2ccccc12
InChIKey: NALGVBVMIHNVKJ-UHFFFAOYSA-N
分子式: C13H15N
平均分子量: 185.26 g/mol

名称と識別子

優先名称: Methyl((4-methylnaphthalen-1-yl)methyl)amine
IUPAC: N-methyl-1-(4-methylnaphthalen-1-yl)methanamine
英語名: Terbinafine Related Compound 1
分子式: C13H15N
分子量: 185.26

名称と別名

98978-50-8METHYL[(4-METHYLNAPHTHALEN-1-YL)METHYL]AMINEMethyl((4-methylnaphthalen-1-yl)methyl)amineRefChem:818261871-123-2Methyl(4-methylnaphthalen-1-ylmethyl)amineN-methyl-1-(4-methylnaphthalen-1-yl)methanamineTerbinafine Impurity 121-Naphthalenemethanamine, N,4-dimethyl-methyl-(4-methyl-naphthalen-1-ylmethyl)amineN,4-Dimethyl-1-naphthalenemethanaminestarbld0035943

名称をさらに表示

Terbinafine 10Terbinafine Related CompoundTerbinafine Related Compound 1N-methyl-4-methyl-1-naphthalenemethanamine

N57P9GUH4SSCHEMBL1254072NALGVBVMIHNVKJ-UHFFFAOYSA-NYDA97850AKOS013753713DB-088915methyl-(4-methyl-naphthalen-1ylmethyl)amineCS-0237613

データベース識別子

CAS: 98978-50-8
PubChem CID: 64430424
UNII: N57P9GUH4S
EC Number: 871-123-2

物性

構造計算による物性

XLogP: 3.4
極性表面積: 12 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: 2
重原子数: 14
形式電荷: 0
複雑度: 178

物理化学的性質

沸点: 305.7 · 305.7±11.0 °C(Predicted)
比重(密度): 1.02 · 1.020±0.06 g/cm3(Predicted)
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Solid
酸解離定数(Pka): 9.77 · 9.77±0.10(Predicted)
色: White to Pale Yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野

使用Methyl(4-methylnaphthalen-1-ylmethyl)amine is a reagent in the preparation of heterocyclic compounds as enoyl-acyl carrier protein reductase FabI inhibitors and antibacterial agents.