(4-메틸-피리딘-2-YL)-카르밤산TERT-부틸에스테르

tert-butyl N-(4-methylpyridin-2-yl)carbamate

HCID 11063648CAS 90101-20-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccnc(NC(=O)OC(C)(C)C)c1
InChIKey: SABMAMDNSRZJBK-UHFFFAOYSA-N
분자식: C11H16N2O2
평균 분자량: 208.26 g/mol
단동위원소 질량: 208.12117775

이름 및 식별자

우선 이름: tert-butyl N-(4-methylpyridin-2-yl)carbamate
IUPAC: tert-butyl N-(4-methyl-2-pyridinyl)carbamate
현지명: (4-메틸-피리딘-2-YL)-카르밤산TERT-부틸에스테르
영어명: (4-Methyl-pyridin-2-yl)-carbamic acid tert-butyl ester
분자식: C11H16N2O2
분자량: 208.26

이름 및 동의어

Tert-butyl N-(4-methylpyridin-2-yl)carbamateRefChem:896161836-214-390101-20-5tert-Butyl (4-methylpyridin-2-yl)carbamate(4-Methyl-pyridin-2-yl)-carbamic acid tert-butyl ester2-(BOC-Amino)-4-picolineMFCD07776933TERT-BUTYL 4-METHYLPYRIDIN-2-YLCARBAMATEN-Boc-2-amino-4-methylpyridine2-(Boc-amino)-4-methylpyridineAB42386

이름 더 보기

(4-메틸-피리딘-2-YL)-카르밤산TERT-부틸에스테르4-Methylpyridin-2-amine, 2-BOC protected2-[(tert-Butoxycarbonyl)amino]-4-methylpyridineN-(4-methyl-2-pyridyl)carbamic acid tert-butyl esterN-(4-methyl-2-pyridinyl)carbamic acid tert-butyl ester

tert-butyl 4-methyl-2-pyridinylcarbamateAS-69596tert-butyl(4-methylpyridin-2-yl)carbamatetert-Butyl N-(4-methyl-2-pyridyl)carbamateEN300-127325CARBAMIC ACID, (4-METHYL-2-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER(4-MethylpyRIDIN-2-YL)carbaMIC ACID TERT-BUTYL ESTERSCHEMBL828560

데이터베이스 식별자

CAS: 90101-20-5
PubChem CID: 11063648
DTXSID: DTXSID40453859
EC Number: 836-214-3
Nikkaji: J757.841E

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 51.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 223

물리화학적 성질

녹는점: 118 · 118-119℃
끓는 점: 274.2 · 274.2±28.0 °C(Predicted)
밀도: 1.108 · 1.108±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): 12.56 · 12.56±0.70(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C11H16N2O2/c1-8-5-6-12-9(7-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
InChIKey: SABMAMDNSRZJBK-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1=NC=CC(C)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.