3-(6-아미노-3-메틸-피리딘-2-일)-벤조산tert-부틸에스테르

Benzoic acid, 3-(6-amino-3-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester

HCID 45480517

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1083057-14-0
표준 SMILES: Cc1ccc(N)nc1-c1cccc(C(=O)OC(C)(C)C)c1
InChIKey: RZGNTHQZYZRDDB-UHFFFAOYSA-N
분자식: C17H20N2O2
평균 분자량: 284.35 g/mol
단동위원소 질량: 284.15247788

이름 및 식별자

우선 이름: Benzoic acid, 3-(6-amino-3-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester
IUPAC: tert-butyl 3-(6-amino-3-methyl-2-pyridinyl)benzoate
현지명: 3-(6-아미노-3-메틸-피리딘-2-일)-벤조산tert-부틸에스테르
영어명: 3-(6-Amino-3-methyl-pyridin-2-yl)-benzoicacidtert-butylester
분자식: C17H20N2O2
분자량: 284.35

이름 및 동의어

1083057-14-0Benzoic acid, 3-(6-amino-3-methyl-2-pyridinyl)-, 1,1-dimethylethyl esterEC 800-303-5RefChem:565761800-303-5tert-Butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate3-(6-Amino-3-methylpyridin-2-yl)benzoic acid tert-butyl ester3-(6-Amino-3-methyl-pyridin-2-yl)-benzoic acid tert-butyl esterMFCD166596113-(6-Amino-3-methyl-pyridin-2-yl)-benzoicacidtert-butylestertert-Butyl 3-(6-Amino-3-methyl-2-pyridyl)benzoateRZGNTHQZYZRDDB-UHFFFAOYSA-N

이름 더 보기

3-(6-아미노-3-메틸-피리딘-2-일)-벤조산tert-부틸에스테르EOS-61004VX-809 intermediatetert-butyl 3-(6-amino-3-methylpyridin-2-yl)benzoat3-(6-amino-3-methylpyridine-2-yl) tert-butyl benzoate3-(6-Amino-3-methyl-pyridin-2-yl)-benzoic acid tert-butyl es...Tert-butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate(For export only)

SCHEMBL725997tert-Butyl3-(6-amino-3-methylpyridin-2-yl)benzoateSCHEMBL31049680DTXSID00670429CS-M2542AKOS016005759SB18038AC-31306

데이터베이스 식별자

CAS: 1083057-14-0
PubChem CID: 45480517
DTXSID: DTXSID00670429
EC Number: 800-303-5

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 364

물리화학적 성질

끓는 점: 439.7 · 439.7±45.0 °C(Predicted)
밀도: 1.119 · 1.119±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 5.95 · 5.95±0.34(Predicted)