2-Thienylalanine

HCID 91444CAS 139-86-6

기본 정보

표준 SMILES: NC(Cc1cccs1)C(=O)O
InChIKey: WTOFYLAWDLQMBZ-UHFFFAOYSA-N
분자식: C7H9NO2S
평균 분자량: 171.22 g/mol
단동위원소 질량: 171.0353997

이름 및 식별자

우선 이름: 2-Thienylalanine
IUPAC: 2-amino-3-thiophen-2-ylpropanoic acid

이름 및 동의어

2021-58-12-Thiophenealanine2-ThienylalanineNSC 7546ZK0RDK1XBbeta-2-Thienyl-DL-alanineX 151EINECS 205-378-2alpha-Amino-2-thiophenepropanoic acidNSC-754EINECS 217-967-12-Thiophenepropionic acid, alpha-amino-

이름 더 보기

DTXSID10862813DL-3-(2-THIENYL)ALANINE.BETA.-2-THIENYL-DL-ALANINEbeta2dlThienylalanine3(2Thienyl)DLalanineRefChem:483738DTXCID20218509alpha-aminothiophene propanoic acid

데이터베이스 식별자

CAS: 139-86-6、2021-58-1
PubChem CID: 91444
DTXSID: DTXSID10862813
ChEBI: CHEBI:233112
UNII: 6ZK0RDK1XB
EC Number: 217-967-1
Nikkaji: J59.668J

물성

구조 계산 물성

XLogP: -1.7
극성 표면적: 91.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

실험 및 물리화학적 성질

Physical DescriptionFaintly beige powder; [Sigma-Aldrich MSDS]

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.