메틸벤질아민
N-Methylbenzylamine
기본 정보
- CAS
103-67-3- 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
- 형식 전하
- 0
- 복잡도
- 65
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
- 용해도
- 65 g/L · 65g/L
- 물리적 상태
- 액체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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
유해성 정보
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
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 1
- tsca
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenemethanamine, N-methyl-: ACTIVE
응용 분야
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.
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