페닐에틸아민
1-Phenethylamine
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기본 정보
- CAS
618-36-0- 표준 SMILES
CC(N)c1ccccc1- InChIKey
RQEUFEKYXDPUSK-UHFFFAOYSA-N- 분자식
- C8H11N
- 평균 분자량
- 121.18 g/mol
- 단동위원소 질량
- 121.08914936
이름 및 식별자
- 우선 이름
- 1-Phenethylamine
- IUPAC
- 1-phenylethanamine
- 현지명
- 페닐에틸아민
- 영어명
- DL-alpha-Methylbenzylamine
- 분자식
- C8H11N
- 분자량
- 121.18
이름 및 동의어
1-Phenylethanamine1-PhenylethylamineALPHA-METHYLBENZYLAMINEalpha-Phenylethylamine1-Phenethylaminealpha-Aminoethylbenzene1-Amino-1-phenylethane98-84-0alpha-Phenethylaminealpha-MethylbenzenemethanamineSumine 2079Ethanamine, 1-phenyl-
이름 더 보기
(+/-)-알파-메틸벤질아민페닐에틸아민페닐에틸아민(RS),(+/-)-알파-메틸벤질아민(+/-)-알파-메틸벤질아민((+/-)-ALPHA-METHYLBENZYLAMINE)알파-메틸벤질아민α-Methylbenzylamine-aLALPHA-PEADL-1-PHENYLETHYLAMINEDL-A-PHENYLETHYLAMINEdl-à-methylbenzylamineDL-alfa-Methylbenzylamine(¬
Ethylamine, 1-phenyl-(1-Aminoethyl)benzeneBenzene, (1-amino-ethyl)-HZ9DM6B2MTBenzylamine, alpha-methyl-Benzenemethanamine, alpha-methyl-Benzenemethaneamine, alpha-methyl-NSC-8391
데이터베이스 식별자
- CAS
618-36-0、98-84-0- PubChem CID
- 7408
- DTXSID
DTXSID40862301- ChEMBL
CHEMBL278059- ChEBI
CHEBI:670- UNII
- HZ9DM6B2MT
- EC Number
- 202-706-6、210-545-8
- Nikkaji
- J66.056F
물성
구조 계산 물성보충 중
- XLogP
- 1.2
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 74
실험 및 물리화학적 성질
LogP1.49
OdorMILD AMMONIACAL ODOR
Density0.9535 @ 20 °C/20 °C
Color/FormWATER-WHITE LIQ
Solubility
SOL IN MOST ORG SOLVENTS & HYDROCARBONS
42 mg/L at 20 °C
Flash Point
79.4 °C
175 °F (79 °C) OC
Boiling Point188.5 °C
Melting Point
-65 °C
< 25 °C
Vapor Density4.2 (AIR= 1)
Vapor Pressure
0.5 [mmHg]
0.5 MM HG @ 20 °C
Refractive Index
INDEX OF REFRACTION: 1.5238 @ 25 °C/D; SADTLER REFERENCE NUMBER: 5859 (IR, PRISM); 8420 (IR, GRATING); 1640 (UV); 207 (NMR, VARIAN) /DL-FORM/
INDEX OF REFRACTION: 1.5366 @ 20 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H312: Harmful in contact with skin [Warning Acute toxicity, dermal]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Danger
유해성 정보
Regulatory Information
Benzenemethanamine, .alpha.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, .alpha.-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 18-09-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11009
1-Phenylethylamine: Does not have an individual approval but may be used under an appropriate group standard
Fire PotentialMODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS
Hazards Summary
Emergency treatment: Irritants; [HSDB] Corrosive to skin and eyes, based on animal studies; [CHEMINFO] A corrosive substance that may cause burns; [eChemPortal: ESIS] Causes burns; Harmful by ingestion or skin absorption; Inhalation may cause corrosive effects to the upper respiratory tract and lungs; [Aldrich MSDS]
NFPA Hazard Classification
2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.
2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.
화학 및 산업
약리 정보
Metabolism/MetabolitesDEMETHYLATION OF N-METHYLPHENYLALKYLAMINES BY RAT LIVER HOMOGENATES.
Cellular LocationsCytoplasm
용도 및 제조
Uses
Used for synthesis and as an emulsifying agent; [Hawley] Used as a resolving agent and chiral intermediate; [Merck Index]
SYNTHESIS; EMULSIFYING AGENT
U.S. Production2023: 250,000 - <550,000 lb；2022: 550,000 - <1,000,000 lb；2021: 250,000 - <550,000 lb；2020: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
Methods of ManufacturingPREPARED BY REDUCTION OF ACETOPHENONE IN LIQUID AMMONIA: ROBINSON, SNYDER, ORG SYN COLL VOL III, 717 (1955).
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzenemethanamine, .alpha.-methyl-: ACTIVE
응용 분야
용도Used for synthesis and as an emulsifying agent; used as a resolving agent and chiral intermediate.
일반 설명α-Methylbenzylamine is a nitrogen source that is widely used as a representative substrate to study the chemo-enzymatic kinetic resolution of primary amines.
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