카르밤산,3-부티닐-,1,1-디메틸에틸에스테르(9CI)

tert-Butyl 3-butyn-1-ylcarbamate

HCID 10725815

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 149990-27-2
표준 SMILES: C#CCCNC(=O)OC(C)(C)C
InChIKey: BWNQTGRBVMERHU-UHFFFAOYSA-N
분자식: C9H15NO2
평균 분자량: 169.22 g/mol
단동위원소 질량: 169.11027872

이름 및 식별자

우선 이름: tert-Butyl 3-butyn-1-ylcarbamate
IUPAC: tert-butyl N-but-3-ynylcarbamate
현지명: 카르밤산,3-부티닐-,1,1-디메틸에틸에스테르(9CI)
영어명: tert-Butyl but-3-yn-1-ylcarbamate
분자식: C9H15NO2
분자량: 169.22

이름 및 동의어

TERT-BUTYL 3-BUTYN-1-YLCARBAMATERefChem:893288860-559-9tert-Butyl but-3-yn-1-ylcarbamate149990-27-2Tert-butyl N-but-3-ynylcarbamatetert-butyl but-3-ynylcarbamateMFCD10698150N-Boc-3-butyn-1-amineCarbamic acid, N-3-butyn-1-yl-, 1,1-dimethylethyl esterCARBAMIC ACID, 3-BUTYNYL-, 1,1-DIMETHYLETHYL ESTER (9CI)TERT-BUTYL N-(BUT-3-YN-1-YL)CARBAMATE

이름 더 보기

카르밤산,3-부티닐-,1,1-디메틸에틸에스테르(9CI)N-Boc-but-3-yn-1-amineTert-Butylbut-3-ynylcarbamate1,1-Dimethylethyl N-3-butyn-1-ylcarbomateBut-3-ynyl-carbaMic acid tert-butyl esterTert-Butyl But-3-Yn-1-Ylcarbamate(WXC01948)

CARBAMIC ACID, 3-BUTYNYL-, 1,1-DIMETHYLETHYL ESTERN-Boc Homo propargyl amineSCHEMBL479811orb3176779DTXSID80443951BWNQTGRBVMERHU-UHFFFAOYSA-Ntert-Butylbut-3-yn-1-ylcarbamateN-BOC-BUT-3YN-1-YLAMINE

데이터베이스 식별자

CAS: 149990-27-2
PubChem CID: 10725815
DTXSID: DTXSID80443951
EC Number: 860-559-9
Nikkaji: J903.228B

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 194

물리화학적 성질

끓는 점: 250.5 · 250.5±23.0 °C(Predicted)
밀도: 0.976 · 0.976±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 12.11 · 12.11±0.46(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): 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)

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