(R)-(+)-알파-메틸벤질아민

1-Phenethylamine, (+)-

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

기본 정보

CAS: 3886-69-9
표준 SMILES: C[C@@H](N)c1ccccc1
InChIKey: RQEUFEKYXDPUSK-SSDOTTSWSA-N
분자식: C8H11N
평균 분자량: 121.18 g/mol
단동위원소 질량: 121.08914935

개요

(1R)-1-phenylethanamine is the (R)-enantiomer of 1-phenylethanamine. It is a conjugate base of a (1R)-1-phenylethanaminium. It is an enantiomer of a (1S)-1-phenylethanamine.

이름 및 식별자

우선 이름: 1-Phenethylamine, (+)-
IUPAC: (1R)-1-phenylethanamine
현지명: (R)-(+)-알파-메틸벤질아민
영어명: (R)-(+)-1-Phenylethylamine
분자식: C8H11N
분자량: 121.18

이름 및 동의어

3886-69-9(R)-(+)-1-Phenylethylamine(R)-(+)-alpha-MethylbenzylamineD-alpha-Methylbenzylamine1-Phenethylamine, (+)-d-1-phenylethylamineV022ZK8GZ5r-(+)-methylbenzylamineEINECS 223-423-4Benzenemethanamine, .alpha.-methyl-, (.alpha.R)-(r)-(+)-1-phenethylamineD-.ALPHA.-PHENETHYLAMINE

이름 더 보기

(1R)-1-페닐에탄아민(R)-(+)-알파-메틸벤질아민(R)-(+)-알파-메틸벤질아민((R)-(+)-ALPHA-METHYLBENZYLAMINE)(R)-1-phenylethan-1-amine(R)-1-PHENYLETHYLAMINER-(+)-ALPHA-PHENYLETHYLAMINE(1R)-1-PHENYLETHANAMINE(R)-1-phenethylamine(R)-(+)-α-MethylbenzylamineD-ALPHA-PHENYLETHYLAMINE(theta)-benzenemethanaminD-PHENYLETHYLAMINE

Benzenemethanamine, alpha-methyl-, (alphaR)-DTXSID80930735EC 223-423-4D-.ALPHA.-METHYLBENZYLAMINE(R)-(+)-1-PHENYLETHANAMINE.ALPHA.-METHYLBENZYLAMINE (+)-FORM [MI][R]-(+)-1-phenylethylamine(+)-phenylethylamine

데이터베이스 식별자

CAS: 3886-69-9
PubChem CID: 643189
DTXSID: DTXSID80930735
ChEMBL: CHEMBL19969
ChEBI: CHEBI:35322
UNII: V022ZK8GZ5
EC Number: 223-423-4
Nikkaji: J45.982H

물성

구조 계산 물성보충 중

XLogP: 1.2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 74.6

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless to light yellow liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -10 °C · -10 °C
끓는 점: 187 · 187-189 °C(lit.)
밀도: 0.952 g/mL · 0.952 g/mL at 20 °C(lit.)
증기압: 0.5 mm · 0.5 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.526(lit.)
인화점: 175 °F · 175 °F
저장 조건: 2 · 2-8°C
용해도: 40 g/L · 40g/L
물리적 상태: 액체
산도 계수 (pKa): 9.04 · 9.04±0.10(Predicted)
색상: 무색의
수소이온지수(pH): 7 · >7 (40g/l, H2O, 20℃)
수용성: 40 g/L · 40g/L(20℃)
Merck: 14 · 14,6026
BRN: 2410916 · 2410916
InChI: 1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
InChIKey: RQEUFEKYXDPUSK-SSDOTTSWSA-N
SMILES: C[C@@H](N)c1ccccc1
LogP: 1.31 · 1.31-1.49 at 25℃
NIST: Benzenemethanamine, «alpha»-methyl-, (R)-(3886-69-9)
EPA: Benzenemethanamine, .alpha.-methyl-, (.alpha.R)- (3886-69-9)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, 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)

Aggregated GHS information provided per 172 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenemethanamine, .alpha.-methyl-, (R)-

Status: Active Update: 19-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20127

(R)-(+)-1-Phenylethylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (98.8%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
HS 번호: 29214980
risk_code: 21/22-34
hazard_code: C
safety_code: 26-28-36/37/39-45-28A-27
포장분류: III
위험 등급: 8
기존화학 물질: KE-05-0860
F 고인화성물질: 3-10-23-34
자연 발화 온도: 355 °C DIN 51794
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

UsesUsed as an intermediate; [ExPub: ECHA REACH Registrations]

General Manufacturing InformationBenzenemethanamine, .alpha.-methyl-, (.alpha.R)-: ACTIVE

응용 분야

용도(R)-(+)-1-Phenylethylamine is a chiral amine used for the determination of the enantiomeric purity of acids.

일반 설명(R)-(+)-α-Methylbenzylamine is a chiral amine.

상·하류 제품 정보

하류 제품

추가 설명

정의ChEBI: The (R)-enantiomer of 1-phenylethanamine.

화합물 노트

불러오는 중…

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3886-69-9
표준 SMILES: C[C@@H](N)c1ccccc1
InChIKey: RQEUFEKYXDPUSK-SSDOTTSWSA-N
분자식: C8H11N
평균 분자량: 121.18 g/mol
단동위원소 질량: 121.08914935

개요

(1R)-1-phenylethanamine is the (R)-enantiomer of 1-phenylethanamine. It is a conjugate base of a (1R)-1-phenylethanaminium. It is an enantiomer of a (1S)-1-phenylethanamine.