메틸벤질아민

N-Methylbenzylamine

HCID 7669CAS 103-67-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CNCc1ccccc1
InChIKey
RIWRFSMVIUAEBX-UHFFFAOYSA-N
분자식
C8H11N
평균 분자량
121.18 g/mol
단동위원소 질량
121.08914935

개요

precursor of carcinogen benzylmethylnitrosamine; RN given refers to parent cpd

이름 및 식별자

우선 이름
N-Methylbenzylamine
IUPAC
N-methyl-1-phenylmethanamine
현지명
메틸벤질아민
영어명
N-Methylbenzylamine
분자식
C8H11N
분자량
121.18

이름 및 동의어

N-METHYLBENZYLAMINE103-67-3N-BenzylmethylamineN-methyl-1-phenylmethanamineMethylbenzylamineBenzylmethylamineBenzyl(methyl)amineBenzenemethanamine, N-methyl-N-Benzyl-N-methylamineBenzylamine, N-methyl-7KN7F4X49ENSC-8059
이름 더 보기
N-벤질메틸아민메틸벤질아민벤질(메틸)아민N-메틸벤질아민NMBABENZYL METHYLAMINEN-methyl-1-phenyl-methanamineCL044NSC 8059N-MethylbenzylaeN-MethylbenzylaminBenzyl(methyl)amin
DTXSID9048439RefChem:830682DTXCID9028413203-133-4Benzyl-methyl-amineN-Methy-N-benzylamineN-methyl-N-benzylamineMFCD00008289

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.5
극성 표면적
12 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
9

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점
-24 °C · -24 °C
끓는 점
184 · 184-189 °C(lit.)
밀도
0.939 g/mL · 0.939 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.522(lit.)
인화점
172 °F · 172 °F
저장 조건
Keep in dark place,Inert atmosphere,Room temperature

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 3건

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 · 2건

Flam. Liq. 3 (93.6%)

Acute toxicity - category 4

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
1
tsca
TSCA listed
ridadr
UN 2735 8/PG 2
HS 번호
29214980
risk_code
34-42/43-22
hazard_code
C

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanamine, N-methyl-: ACTIVE
응용 분야 · 1건

용도N-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.

상·하류 제품 정보

공급사50 곳

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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