N-メチルベンジルアミン

N-Methylbenzylamine

HCID 7669CAS 103-67-3
部分構造検索類似構造を探す

基本情報

標準SMILES
CNCc1ccccc1
InChIKey
RIWRFSMVIUAEBX-UHFFFAOYSA-N
分子式
C8H11N
平均分子量
121.18 g/mol
単同位体質量
121.08914935

概要

precursor of carcinogen benzylmethylnitrosamine; RN given refers to parent cpd

名称と識別子

優先名称
N-Methylbenzylamine
IUPAC
N-methyl-1-phenylmethanamine
現地名
N-メチルベンジルアミン
英語名
N-Methylbenzylamine
分子式
C8H11N
分子量
121.18

名称と別名

N-METHYLBENZYLAMINE103-67-3N-BenzylmethylamineN-methyl-1-phenylmethanamineMethylbenzylamineBenzylmethylamineBenzyl(methyl)amineBenzenemethanamine, N-methyl-N-Benzyl-N-methylamineBenzylamine, N-methyl-7KN7F4X49ENSC-8059
名称をさらに表示
N-メチルベンジルアミンN-ベンジルメチルアミンN-メチルフェニルメタンアミンメチルアミノメチルベンゼンN-ベンジル-N-メチルアミンN-ベンジルメタンアミンメチルベンジルアミンベンジルメチルアミンN-メチルベンゼンメタンアミンN-メチル-N-ベンジルアミン1-[(メチルアミノ)メチル]ベンゼンω-メチルアミノトルエンN‐メチルベンジルアミンN-ベンジルメチルアミン, 97%NMBABENZYL METHYLAMINEN-methyl-1-phenyl-methanamineCL044NSC 8059N-MethylbenzylaeN-MethylbenzylaminBenzyl(methyl)amin
DTXSID9048439RefChem:830682DTXCID9028413203-133-4Benzyl-methyl-amineN-Methy-N-benzylamineN-methyl-N-benzylamineMFCD00008289

データベース識別子

CAS
103-67-3
PubChem CID
7669
DTXSID
DTXSID9048439
ChEMBL
CHEMBL1338
UNII
7KN7F4X49E
EC Number
203-133-4
Nikkaji
J28.348G

物性

構造計算による物性

XLogP
1.5
極性表面積
12 Ų
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
9

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.52
Vapor Pressure0.65 [mmHg]
Physical DescriptionColorless liquid with an amine-like odor; [Alfa Aesar MSDS]
Collision Cross Section126.07 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点
-24 °C · -24 °C
沸点
184 · 184-189 °C(lit.)
比重(密度)
0.939 g/mL · 0.939 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.522(lit.)
闪点
172 °F · 172 °F
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.2% (5 of 2144) of reports.

Danger

H226 (93.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2144 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenemethanamine, N-methyl-

Status: Active Update: 10-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10517

Benzyl(methyl)amine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryPrecursor of carcinogen benzylmethylnitrosamine. [ChemIDplus] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS] See alpha-Methylbenzylamine.
Hazard Classes and Categories · 2 件

Flam. Liq. 3 (93.6%)

Acute toxicity - category 4

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F
2-10
wgk
1
tsca
TSCA listed
ridadr
UN 2735 8/PG 2
hs_code
29214980
risk_code
34-42/43-22

化学と産業

用途と製造

General Manufacturing InformationBenzenemethanamine, N-methyl-: ACTIVE
応用分野 · 2 件

用途有機合成原料。

使用N-Benzylmethylamine is used in the production of dyes. It can be also used as catalytic agent, Petrochemical additive. N-methylbenzylamine is a member of phenylmethylamines. N-methylbenzylamine can be found in carrot, which makes N-methylbenzylamine a potential biomarker for the consumption of these food products.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东德信精细化工有限公司18553366272
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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