(3-아이오도-벤질)-탄산tert-부틸에스테르

tert-Butyl 3-iodobenzylcarbamate

HCID 11645663CAS 263351-43-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NCc1cccc(I)c1
InChIKey: JWXVKTCSHBWQRQ-UHFFFAOYSA-N
분자식: C12H16INO2
평균 분자량: 333.16 g/mol
단동위원소 질량: 333.02258

이름 및 식별자

우선 이름: tert-Butyl 3-iodobenzylcarbamate
IUPAC: tert-butyl N-[(3-iodophenyl)methyl]carbamate
현지명: (3-아이오도-벤질)-탄산tert-부틸에스테르
영어명: (3-IODO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTER
분자식: C12H16INO2
분자량: 333.17

이름 및 동의어

tert-Butyl 3-iodobenzylcarbamate263351-43-5DTXSID00469976RefChem:383412DTXCID50420794Tert-butyl N-[(3-iodophenyl)methyl]carbamate(3-IODO-BENZYL)-CARBAMIC ACID TERT-BUTYL ESTERMFCD09032539tert-Butyl (3-iodobenzyl)carbamateCarbamic acid, N-[(3-iodophenyl)methyl]-, 1,1-dimethylethyl estertert-Butyl3-iodobtert-Butyl3-iodobenzylcarbamate

이름 더 보기

(3-아이오도-벤질)-탄산tert-부틸에스테르1,1-Dimethylethyl N-[(3-iodophenyl)methyl]carbamate

SCHEMBL2184472SCHEMBL30732561tert-butyl-3-iodobenzylcarbamatetert-butyl(3-iodobenzyl)carbamateJWXVKTCSHBWQRQ-UHFFFAOYSA-NN-Boc-1-(3-iodophenyl)methanamineAKOS015964716DS-9013

데이터베이스 식별자

CAS: 263351-43-5
PubChem CID: 11645663
DTXSID: DTXSID00469976
EC Number: 808-764-4
Nikkaji: J1.237.724J

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 238

물리화학적 성질

저장 조건: 2 · 2-8°C, protect from light

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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

P264, P270, P301+P317, P330, 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.；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.