CAS 116026-99-4 tert-butyl N-(2-formylpyridin-3-yl)carbamate (HCID 10911130)

기본 정보

CAS: 116026-99-4
표준 SMILES: CC(C)(C)OC(=O)Nc1cccnc1C=O
InChIKey: AHTZIHDCJWVLKK-UHFFFAOYSA-N
분자식: C11H14N2O3
평균 분자량: 222.24 g/mol
단동위원소 질량: 222.10044231

이름 및 식별자

우선 이름: tert-butyl N-(2-formylpyridin-3-yl)carbamate
IUPAC: tert-butyl N-(2-formyl-3-pyridinyl)carbamate
현지명: (2-FORMYL-PYRIDIN-3-YL)-카르밤산TERT-부틸에스테르
영어명: (2-Formyl-pyridin-3-yl)-carbamic acid tert-butyl ester
분자식: C11H14N2O3
분자량: 222.24

이름 및 동의어

Tert-butyl N-(2-formylpyridin-3-yl)carbamateRefChem:895702802-554-6116026-99-4tert-Butyl (2-formylpyridin-3-yl)carbamate(2-Formyl-pyridin-3-yl)-carbamic acid tert-butyl esterMFCD04035594(2-Formyl-pyridin-3-yl)-carbamic acidtert-butyl estertert-butyl 2-formylpyridin-3-ylcarbamateCarbamic acid, N-(2-formyl-3-pyridinyl)-, 1,1-dimethylethyl esterAKOS015838202CS-0062512

이름 더 보기

(2-FORMYL-PYRIDIN-3-YL)-카르밤산TERT-부틸에스테르Boc - 3 - aMinopicolinaldehyde(tert-butoxy)-N-(2-forMyl(2-pyridyl)-carboxaMide3-TERT-BUTOXYCARBONYLAMINO-PYRIDINE-2-CARBOXALDEHYDEN-(5-formyl-2-pyridinyl)carbamic acid tert-butyl ester(2-Formylpyridin-3-yl)-carbamic acid tert-butyl ester ,97%

EN300-249553(2-Formyl-pyridin-3-yl)-carbamic acid tert-butyl ester, AldrichCPR3-tert-Butyroxcarbonylamine-pyridine-2-carboxaldehyde2-Methyl-2-propany3-(Boc-amino)pyridine-2-carboxaldehydeCarbamic acid, (2-formyl-3-pyridinyl)-, 1,1-dimethylethyl esterFT-0677412A803552

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 68.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 260

물리화학적 성질

녹는점: 79.4 · 79.4-79.6°C
끓는 점: 295 · 295.0±25.0 °C(Predicted)
밀도: 1.212 · 1.212±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 12.42 · 12.42±0.70(Predicted)
색상: 연노랑
InChI: InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-8-5-4-6-12-9(8)7-14/h4-7H,1-3H3,(H,13,15)
InChIKey: AHTZIHDCJWVLKK-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1=CC=CN=C1C=O

화학적 성질

White to off-white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 22-36-43-36/37/38
hazard_code: Xi,Xn
safety_code: 26-36/37-36
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

3-Amino-pyridine-2-carbaldehyde tert-부틸(2-(aMinoMethyl)pyridin-3-yl)carbaMate

공급사53 곳

上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

화합물 노트

불러오는 중…

(2-FORMYL-PYRIDIN-3-YL)-카르밤산TERT-부틸에스테르