2-아미노-5-(트리부틸스타닐)-1,3-티아졸,N-BOC보호

tert-butyl N-(5-(tributylstannyl)-1,3-thiazol-2-yl)carbamate

HCID 2763269

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 243972-26-1
표준 SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cnc(NC(=O)OC(C)(C)C)s1
InChIKey: WBQYLGCBVADFPD-UHFFFAOYSA-N
분자식: C20H38N2O2SSn
평균 분자량: 489.3 g/mol
단동위원소 질량: 490.16759416

이름 및 식별자

우선 이름: tert-butyl N-(5-(tributylstannyl)-1,3-thiazol-2-yl)carbamate
IUPAC: tert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
현지명: 2-아미노-5-(트리부틸스타닐)-1,3-티아졸,N-BOC보호
영어명: 2-Amino-5-(tributylstannyl)-1,3-thiazole, N-BOC protected
분자식: C20H38N2O2SSn
분자량: 489.3

이름 및 동의어

tert-butyl N-[5-(tributylstannyl)-1,3-thiazol-2-yl]carbamatetert-butyl N-(5-(tributylstannyl)-1,3-thiazol-2-yl)carbamateRefChem:896197663-174-2243972-26-1tert-Butyl (5-(tributylstannyl)thiazol-2-yl)carbamate2-(N-BOC)-5-(tributylstannyl)thiazoleTert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate2-Amino-5-(tributylstannyl)-1,3-thiazole, N-BOC protectedTert-butyl 5-(tributylstannyl)thiazol-2-ylcarbamate2-(N-Boc-amino)-5-(tributylstannyl)thiazoletert-Butyl-5-(tributylstannyl)thiazol-2-ylcarbamate

이름 더 보기

2-아미노-5-(트리부틸스타닐)-1,3-티아졸,N-BOC보호SKL10912-AMino-5-(tributylstannyl)-1,3-thiazole2-(Boc-amino)-5-(tributylstannyl)thiazole2-(N-BOC)-5-(tributylstannyl)thiazole - [B2263]2-Amino-5-(tributylstannyl)-1,3-thiazole, 2-BOC protectedtert-butyl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamatepp

SCHEMBL1094706DTXSID40376857WBQYLGCBVADFPD-UHFFFAOYSA-Ntert-Butyl [5-(tributylstannyl)-1,3-thiazol-2-yl]carbamate(5-tributylstannyl-thiazol-2-yl)-carbamic acid tert-butyl esterTJA97226AKOS015949591GS-6524

데이터베이스 식별자

CAS: 243972-26-1
PubChem CID: 2763269
DTXSID: DTXSID40376857
EC Number: 663-174-2
Nikkaji: J1.147.655D

물성

구조 계산 물성

극성 표면적: 79.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 13
무거운 원자 수: 26
형식 전하: 0
복잡도: 393

물리화학적 성질

녹는점: 78 · 78-86°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: solid
산도 계수 (pKa): 5.24 · 5.24±0.70(Predicted)
InChI: 1S/C8H11N2O2S.3C4H9.Sn/c1-8(2,3)12-7(11)10-6-9-4-5-13-6;3*1-3-4-2;/h4H,1-3H3,(H,9,10,11);3*1,3-4H2,2H3;
InChIKey: WBQYLGCBVADFPD-UHFFFAOYSA-N
SMILES: CCCC[Sn](CCCC)(CCCC)c1cnc(NC(=O)OC(C)(C)C)s1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 3146 6.1 / PGIII
HS 번호: 2934100090
risk_code: 21-25-36/38-48/23/25-50/53
hazard_code: T,N
safety_code: 36/37/39-45-60-61
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects