페닐에틸아민

1-Phenethylamine

HCID 7408CAS 618-36-0

기본 정보

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 물성

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

실험 및 물리화학적 성질

LogP1.49
OdorMILD AMMONIACAL ODOR
Density0.9535 @ 20 °C/20 °C
Color/FormWATER-WHITE LIQ
Solubility · 2건

SOL IN MOST ORG SOLVENTS & HYDROCARBONS

42 mg/L at 20 °C

Flash Point · 2건

79.4 °C

175 °F (79 °C) OC

물리화학적 성질

녹는점
-65 °C · -65 °C
끓는 점
185 °C756 · 185 °C756 mm Hg(lit.)
밀도
0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
증기압
0.7 hPa · 0.7 hPa (20 °C)
굴절률
20 · n20/D 1.526(lit.)
인화점
175 °F · 175 °F

화학적 성질

liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 3건

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 · 1건

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 · 4건

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.

0 - Materials that in themselves are normally stable, even under fire conditions.

Hazard Classes and Categories · 5건

Acute Tox. 4 (100%);Acute Tox. 4 (99.4%);Skin Corr. 1B (100%);Eye Dam. 1 (67.7%)

Acute toxicity - category 4;Acute toxicity - category 4;Skin corrosion - category 1B

Flammable liquids - Category 4;Acute toxicity (Oral) - Category 4;Acute toxicity (Dermal) - Category 4

Acute Tox. 4 *;Acute Tox. 4 *;Skin Corr. 1B

Acute Tox. 4 *;Acute Tox. 4 *;Skin Corr. 1B

안전 및 보호

Fire Fighting ProceduresALCOHOL FOAM, CARBON DIOXIDE, DRY CHEMICAL

독성 정보

InteractionsLINOLEIC ACID MIXED WITH ALPHA-METHYL BENZYLAMINE IN A 1:1 MOLAR RATIO & FED TO RATS, ON A HIGH CHOLESTEROL DIET, @ 0.2% OF THE DIET HAD NO EFFECT ON PLASMA & LIVER LIPID LEVELS.
Adverse EffectsDermatotoxin - Skin burns.;Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
Non-Human Toxicity Excerpts · 3건

BENZYLAMINES WITH SUBSTITUENTS SUCH AS METHYL ATTACHED TO RING & WITH SUBSTITUENTS SUCH AS METHYL & ETHYL ATTACHED TO ALPHA-CARBON WERE EFFECTIVE IN INHIBITING PHENETHANOLAMINE N-METHYL TRANSFERASE IN N-METHYLATION OF NOREPINEPHRINE TO FORM EPINEPHRINE.

BETA-PHENYLETHYLAMINE-HCL GAVE 1ST-ORDER INHIBITION OF SODIUM ION-DEPENDENT GLYCINE ENTRY INTO PIGEON ERYTHROCYTES. ION RATHER THAN FREE AMINE WAS THE INHIBITOR. ALPHA-PHENETHYLAMINE-HCL WAS EFFECTIVE INHIBITOR ALSO.

IN RATS IV INJECTION OF 0.5-5 MG/KG HAD A PRESSOR EFFECT WHEREAS 10 MG/KG CAUSED A TEMPORARY DEPRESSOR EFFECT & INHIBITION OF RESP. DECR IN HEART BEAT IN DOGS & INHIBITION OF RESP IN RATS WERE OBSERVED ONLY WHEN LARGE DOSE (10-20 MG/KG) WAS ADMIN.

규제 정보

Regulatory Information · 3건

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

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
DP5775000
ridadr
UN 2735 8/PG 2
HS 번호
29214980
risk_code
21/22-34

화학 및 산업

약리 정보

Metabolism/MetabolitesDEMETHYLATION OF N-METHYLPHENYLALKYLAMINES BY RAT LIVER HOMOGENATES.
Cellular LocationsCytoplasm

용도 및 제조

Uses · 2건

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 · 2건

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.

공급사39 곳

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]

추가 설명

정의ChEBI: A phenylethylamine that is ethylamine substituted by a phenyl group at position 1.

관련 반응

314건

연결된 노트

불러오는 중…