BOC-2-아미노-4-티아졸-카르복실산

2-Amino-1,3-thiazole-4-carboxylic acid, N-BOC protected

HCID 1502051

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 83673-98-7
표준 SMILES: CC(C)(C)OC(=O)Nc1nc(C(=O)O)cs1
InChIKey: PIWSRJPUYPNQJE-UHFFFAOYSA-N
분자식: C9H12N2O4S
평균 분자량: 244.27 g/mol
단동위원소 질량: 244.05177786

이름 및 식별자

우선 이름: 2-Amino-1,3-thiazole-4-carboxylic acid, N-BOC protected
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
현지명: BOC-2-아미노-4-티아졸-카르복실산
영어명: Boc-2-amino-4-thiazole-carboxylic acid
분자식: C9H12N2O4S
분자량: 244.27

이름 및 동의어

2-Amino-1,3-thiazole-4-carboxylic acid, N-BOC protectedRefChem:462932689-053-483673-98-72-BOC-AMINOTHIAZOLE-4-CARBOXYLIC ACIDBoc-2-amino-4-thiazole-carboxylic acidMFCD021810572-((tert-butoxycarbonyl)amino)thiazole-4-carboxylic acid2-(tert-butoxycarbonylamino)thiazole-4-carboxylic acid2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-4-carboxylic acid2-Tert-butoxycarbonylaminothiazole-4-carboxylic acid2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic Acid

이름 더 보기

BOC-2-아미노-4-티아졸-카르복실산N-BOC protected2-Boc-AminothiazoL3-thiazole-4-carboxylic acidN-Boc-2-aMino thiazole-4-carboxylic acid2-(N-BOC-Amino)-thiazol-4-carboxylic acid2-(tert-butoxycarbonyl)thiazole-4-carboxylic acid

2-tert-Butoxycarbonylamino-thiazole-4-carboxylic acid2-[(tert-Butoxycarbonyl)amino]thiazole-4-carboxylic acid2-(Boc-amino)thiazole-4-carboxylic acid2-[(tert-butoxycarbonyl)amino]-1,3-thiazole-4-carboxylic acidBOC-2-AMINO-4-THIAZOLE-CARBIXYLIC ACID2-(tert-butoxycarbonyl)amino-1,3-thiazole-4-carboxylic acid2-[[(tert-butoxy)carbonyl]amino]-1,3-thiazole-4-carboxylic acid2-Boc-Aminothiazole-4-carboxylicacid

데이터베이스 식별자

CAS: 83673-98-7
PubChem CID: 1502051
DTXSID: DTXSID70363593
EC Number: 689-053-4
Nikkaji: J1.367.772G

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 117 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 290

물리화학적 성질

녹는점: 250 · 250-252
밀도: 1.406 · 1.406±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 5.53 · 5.53±0.70(Predicted)
물리적 상태: 고체
색상: 옅은 노랑
InChI: InChI=1S/C9H12N2O4S/c1-9(2,3)15-8(14)11-7-10-5(4-16-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)
InChIKey: PIWSRJPUYPNQJE-UHFFFAOYSA-N
SMILES: S1C=C(C(O)=O)N=C1NC(OC(C)(C)C)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.