N-メチルベンジルアミン
N-Methylbenzylamine
基本情報
- CAS
103-67-3- 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
- 形式電荷
- 0
- 複雑度
- 65
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
- 溶解性
- 65 g/リットル · 65g/リットル
- 外見
- 液体
- 酸解離定数(Pka)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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
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
化学と産業
用途と製造
General Manufacturing InformationBenzenemethanamine, N-methyl-: ACTIVE
応用分野
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.
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