1-Phenethylamine, (-)- (HCID 75818)

개요

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

이름 및 식별자

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

이름 및 동의어

2627-86-3(S)-(-)-1-Phenylethylamine(S)-1-PhenylethylamineL-alpha-Methylbenzylamine1-Phenethylamine, (-)-EINECS 220-098-0(s)-(-)-phenethylamine(s)-(-)-phenylethylamineBenzenemethanamine, .alpha.-methyl-, (.alpha.S)-(S)-(-)-1-phenethylamineL-(-)-alpha-methylbenzylamine05780F90V3

이름 더 보기

(에스)-(-)-알파-메틸벤질아민L-알파-메틸벤질아민L-α-메틸벤질아민(S)-1-phenylethan-1-amine(S)-1-PHENYLETHANAMINE(1S)-1-Phenylethanamine(S)-(-)-α-Methylbenzylamine(S)-(-)-ALPHA-METHYLBENZYLAMINE(S)-alpha-Methylbenzenemethanamine(S)-1-Amino-1-phenylethane

Benzenemethanamine, alpha-methyl-, (alphaS)-EC 220-098-0L-.ALPHA.-PHENYLETHYLAMINEDTXSID701014613S-.ALPHA.-METHYLBENZYLAMINEL-(-)-.ALPHA.-METHYLBENZYLAMINE.ALPHA.-METHYLBENZYLAMINE (-)-FORM [MI]L-alpha-Phenylethylamine

데이터베이스 식별자

CAS: 2627-86-3
PubChem CID: 75818
DTXSID: DTXSID701014613
ChEMBL: CHEMBL282700
ChEBI: CHEBI:35321
UNII: 05780F90V3
EC Number: 220-098-0
Nikkaji: J45.983F

물성

구조 계산 물성

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

Vapor Pressure0.5 [mmHg]

Physical DescriptionColorless hygroscopic liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: -10 °C · -10 °C
끓는 점: 187 °C · 187 °C(lit.)
밀도: 0.94 g/mL · 0.94 g/mL at 25 °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: 42 g/L · 42g/L
산도 계수 (pKa): 9.04 · 9.04±0.10(Predicted)
물리적 상태: 액체
색상: 무색의
수소이온지수(pH): 7 · >7 (H2O, 20°C) (undiluted)
수용성: 약간 용해됨
Merck: 14 · 14,6026
BRN: 2204907 · 2204907
InChI: 1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
InChIKey: RQEUFEKYXDPUSK-ZETCQYMHSA-N
SMILES: C[C@H](N)c1ccccc1
LogP: 1.31 at · 1.31 at 25℃
NIST: Benzenemethanamine, «alpha»-methyl-, (S)-(2627-86-3)
EPA: Benzenemethanamine, .alpha.-methyl-, (.alpha.S)- (2627-86-3)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302+H312 (68.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 644 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

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

Status: Active Update: 07-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30042

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

Hazards Summary · 1건

Causes burns; Harmful by ingestion and skin absorption; [ECHA REACH Registrations] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion; Toxic by skin absorption; [Sigma-Aldrich MSDS] See N-Methylbenzylamine.

Hazard Classes and CategoriesAcute Tox. 4 (99.7%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: DP5775000
ridadr: UN 2922 8/PG 2
독성: LD50 orally in Rabbit: 980 mg/kg LD50 dermal Rabbit 730 mg/kg
HS 번호: 29214980
risk_code: 21/22-34-35
hazard_code: C,Xi
safety_code: 26-28-36/37/39-45-28A-27
포장분류: III
위험 등급: 8
F 고인화성물질: 3-10-23-34
위험 참고 사항: Irritant
자연 발화 온도: 355 °C
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

용도 및 제조

UsesUsed as an intermediate; [ECHA REACH Registrations]

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

응용 분야

용도L-1-Phenylethylamine can be used in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole

일반 설명(S)-()-α-Methylbenzylamine is a chiral derivatizing agent, which is employed for derivatizing enantiomers into diastereoisomers.

상·하류 제품 정보

상류 원료

하류 제품

(S)-(-)-2-아제티딘카르복실산 (S)-(-)-N-벤질-1-페닐에틸아민 에스펜발러레이트 (-)-비스[(S)-1-페닐에틸]아민 (R)-3-아미노퀴누클리딘디히드로클로라이드 (-)-Bis[(S)-1-phenylethyl]amine hydrochloride (R)-(+)-2-Methyl-2-propanesulfinamide (R)-1,1'-비-2-나프톨 (S)-1,1'-비-2-나프톨 (R)-(+)-Bornylamine (R)-(+)-N-벤질-1-페닐에틸아민 (S)-(-)-N,ALPHA-디메틸벤질아민

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명

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

연결된 노트

불러오는 중…

L-알파-메틸벤질아민

기본 정보

개요