L-알파-메틸벤질아민
1-Phenethylamine, (-)-
기본 정보
- CAS
2627-86-3- 표준 SMILES
C[C@H](N)c1ccccc1- InChIKey
RQEUFEKYXDPUSK-ZETCQYMHSA-N- 분자식
- C8H11N
- 평균 분자량
- 121.18 g/mol
- 단동위원소 질량
- 121.08914935
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 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 74.6
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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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
추가 설명
정의ChEBI: The (S)-enantiomer of 1-phenylethanamine.
관련 반응
279건
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