5,5,5-Trifluoroleucine

HCID 259832CAS 2792-72-5

기본 정보

표준 SMILES: CC(CC(N)C(=O)O)C(F)(F)F
InChIKey: XFGVJLGVINCWDP-UHFFFAOYSA-N
분자식: C6H10F3NO2
평균 분자량: 185.14 g/mol
단동위원소 질량: 185.06636322

개요

5,5,5-trifluoroleucine is a leucine derivative in which one of its methyl groups is replaced by trifluoromethyl. It is an organofluorine compound, a leucine derivative and a non-proteinogenic alpha-amino acid. It is functionally related to a leucine.

이름 및 식별자

우선 이름: 5,5,5-Trifluoroleucine
IUPAC: 2-amino-5,5,5-trifluoro-4-methylpentanoic acid
영어명: 5,5,5-Trifluoro-DL-leucine
분자식: C6H10F3NO2
분자량: 185.14

이름 및 동의어

2792-72-55,5,5-TrifluoroleucineTrifluoroleucine5',5',5'-TrifluoroleucineDL-5',5',5'-TrifluoroleucineCHEBI:78014DTXSID3013467435',5',5'-Trifluoro-DL-leucineRefChem:100736DTXCID408597565,5,5-Trifluoro-DL-leucine2-amino-5,5,5-trifluoro-4-methylpentanoic acid

이름 더 보기

5,5,5-TRIFLUORO-DL-LEUCINE USP/EP/BP5,5,5-TRIFLUORO-DL-LEUCINE, 97% MIN.2-amino-5,5,5-trifluoro-4-methyl-valeric acid(+/-)2-AMINO-4-(TRIFLUOROMETHYL)PENTANOIC ACID2-azanyl-5,5,5-trifluoro-4-methyl-pentanoic acid

372-22-5Leucine, 5,5,5-trifluoro-MFCD00039528Norvaline, 5,5,5-trifluoro-4-methyl-, DL-DL-Leucine, 5,5,5-trifluoro-Leucine, 5,5,5-trifluoro-, DL-SCHEMBL188081NSC90440

데이터베이스 식별자

CAS: 2792-72-5、372-22-5
PubChem CID: 259832
DTXSID: DTXSID301346743
ChEBI: CHEBI:78014
EC Number: 634-772-0、670-536-3
Nikkaji: J1.531.847C

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 273 °C · 273 °C
끓는 점: 217.4 · 217.4±40.0 °C(Predicted)
밀도: 1.294 · 1.294±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.27 · 2.27±0.21(Predicted)
물리적 상태: 가루
색상: 하얀색
주요 응용: 펩타이드 합성
InChI: 1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)
InChIKey: XFGVJLGVINCWDP-UHFFFAOYSA-N
SMILES: CC(CC(N)C(O)=O)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

Acute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 2922498590
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도5,5,5-Trifluoro-DL-leucine (CAS# 2792-72-5) can be used to inhibit tumor cell invasion, as well as for bacterial infections. It can also be used to stabilize variants of bacterial glucose-binding proteins to use as biosensors to monitor blood glucose levels.

공급사14 곳

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

Clearsynth Labs Limited+91-22-26355700 · [email protected]

湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]

추가 설명

정의ChEBI: A leucine derivative in which one of its methyl groups is replaced by trifluoromethyl.

연결된 노트

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