카르밤산,(3-에티닐페닐)-,1,1-디메틸에틸에스테르(9CI)

tert-Butyl 3-ethynylphenylcarbamate

HCID 11275982CAS 185619-66-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C#Cc1cccc(NC(=O)OC(C)(C)C)c1
InChIKey: OVWBYRQRBCBWDM-UHFFFAOYSA-N
분자식: C13H15NO2
평균 분자량: 217.26 g/mol
단동위원소 질량: 217.11027872

이름 및 식별자

우선 이름: tert-Butyl 3-ethynylphenylcarbamate
IUPAC: tert-butyl N-(3-ethynylphenyl)carbamate
현지명: 카르밤산,(3-에티닐페닐)-,1,1-디메틸에틸에스테르(9CI)
영어명: Carbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI)
분자식: C13H15NO2
분자량: 217.26

이름 및 동의어

185619-66-3tert-butyl 3-ethynylphenylcarbamateDTXSID80460901RefChem:383387DTXCID70411720813-222-5tert-Butyl (3-ethynylphenyl)carbamateTert-butyl N-(3-ethynylphenyl)carbamateN-Boc-3-ethynylanilineCarbamic acid, (3-ethynylphenyl)-, 1,1-dimethylethyl ester (9CI)MFCD14585306SCHEMBL835653

이름 더 보기

카르밤산,(3-에티닐페닐)-,1,1-디메틸에틸에스테르(9CI)tert-Butyl (3-ethynylphenyl)carbamate - [B56910]Carbamic acid, N-(3-ethynylphenyl)-, 1,1-dimethylethyl ester

3-(N-boc-amino)phenylacetyleneSCHEMBL30278664OVWBYRQRBCBWDM-UHFFFAOYSA-Nt-Butyl (3-ethynylphenyl)carbamatetert-Butyl(3-ethynylphenyl)carbamateAKOS014476601DS-6889BP-11672

데이터베이스 식별자

CAS: 185619-66-3
PubChem CID: 11275982
DTXSID: DTXSID80460901
EC Number: 813-222-5
Nikkaji: J1.942.002G

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: 295

물리화학적 성질

저장 조건: 2 · 2-8°C
물리적 상태: 고체
색상: 회색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.