BOC-3-(4-티아졸릴)-DL-알라닌

2-((tert-Butoxycarbonyl)amino)-3-(thiazol-4-yl)propanoic acid

HCID 14540322CAS 119378-93-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NC(Cc1cscn1)C(=O)O
InChIKey: RVXBTZJECMMZSB-UHFFFAOYSA-N
분자식: C11H16N2O4S
평균 분자량: 272.32 g/mol

이름 및 식별자

우선 이름: 2-((tert-Butoxycarbonyl)amino)-3-(thiazol-4-yl)propanoic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
현지명: BOC-3-(4-티아졸릴)-DL-알라닌
영어명: Boc-3-(4-thiazolyl)-DL-alanine
분자식: C11H16N2O4S
분자량: 272.32

이름 및 동의어

119378-93-7BOC-3-(4-THIAZOLYL)-DL-ALANINE2-((tert-Butoxycarbonyl)amino)-3-(thiazol-4-yl)propanoic acidMFCD029297702-{[(tert-butoxy)carbonyl]amino}-3-(1,3-thiazol-4-yl)propanoic acid2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid(RS)-Boc-3-(4-thiazolyl)alanineBoc-D-4-ThiazoylalanineBoc-L-4-Thiazoylalanine(S)-2-(Boc-amino)-3-(4-thiazolyl)propionic acidSCHEMBL478735Boc-?-(4-thiazolyl)-Ala-OH

이름 더 보기

BOC-3-(4-티아졸릴)-DL-알라닌Boc-DL-Tza-OHBOC-DL-4-THIAZOLYLALANINEN-Boc-4-Thiazolyl-DL-alanineN-tert-Butyloxycarbonyl-DL-(4-thiazolyl)alanine4-Thiazolepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-

Boc-L-3-(4-thiazolyl)alanineRVXBTZJECMMZSB-UHFFFAOYSA-NBoc-L-3-(4-Thiazolyl )-alanineAKOS010056749LS-13982SY382375DB-254070CS-0441907

데이터베이스 식별자

CAS: 119378-93-7
PubChem CID: 14540322
EC Number: 170-971-4

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 117 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 18
형식 전하: 0
복잡도: 317

물리화학적 성질

끓는 점: 456.8 · 456.8±40.0 °C(Predicted)
밀도: 1.288 · 1.288±0.06 g/cm3(Predicted)
저장 조건: Store at Room Tem.
산도 계수 (pKa): 3.53 · 3.53±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.