카르밤산,4-펜티닐-,1,1-디메틸에틸에스테르(9CI)

tert-butyl N-(pent-4-yn-1-yl)carbamate

HCID 22904935

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 151978-50-6
표준 SMILES: C#CCCCNC(=O)OC(C)(C)C
InChIKey: JTPJJKZSKWNWKK-UHFFFAOYSA-N
분자식: C10H17NO2
평균 분자량: 183.25 g/mol
단동위원소 질량: 183.12592879

이름 및 식별자

우선 이름: tert-butyl N-(pent-4-yn-1-yl)carbamate
IUPAC: tert-butyl N-pent-4-ynylcarbamate
현지명: 카르밤산,4-펜티닐-,1,1-디메틸에틸에스테르(9CI)
영어명: Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)
분자식: C10H17NO2
분자량: 183.25

이름 및 동의어

TERT-BUTYL N-(PENT-4-YN-1-YL)CARBAMATERefChem:896383695-496-4N-Boc-4-pentyne-1-amine151978-50-6tert-Butyl pent-4-yn-1-ylcarbamatetert-butyl N-pent-4-ynylcarbamateN-Boc-5-amino-1-pentyneMFCD200362874-Pentynylcarbamic acid tert-butyl estertert-Butyl (4-pentynyl)carbamateN-Boc-4-pentyn-1-amine

이름 더 보기

카르밤산,4-펜티닐-,1,1-디메틸에틸에스테르(9CI)tert-butyl pent-4-ynylcarbamateN-Boc-4-pentyne-1-amine >=95% (GC)

Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)Carbamic acid, N-4-pentyn-1-yl-, 1,1-dimethylethyl esterPent-4-ynyl-carbamic acid tert-butyl esterN-(Boc)-5-pentyneamineSCHEMBL312362orb1307347orb1940645tert-butyl(4-pentynyl)carbamate

데이터베이스 식별자

CAS: 151978-50-6
PubChem CID: 22904935
DTXSID: DTXSID30628837
EC Number: 695-496-4
Nikkaji: J903.229K

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 13
형식 전하: 0
복잡도: 207

물리화학적 성질

끓는 점: 267.2 · 267.2±23.0 °C(Predicted)
밀도: 0.965 · 0.965±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 12.61 · 12.61±0.46(Predicted)
물리적 상태: Solid
색상: White to off-white
BRN: 6918435 · 6918435
InChI: InChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKey: JTPJJKZSKWNWKK-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NCCCC#C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (95%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.；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.