벤질4-(클로로카르보닐)테트라히드로-1(2H)-피리딘카르복실레이트

Benzyl 4-(chlorocarbonyl)piperidine-1-carboxylate

HCID 2776270

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 10314-99-5
표준 SMILES: O=C(Cl)C1CCN(C(=O)OCc2ccccc2)CC1
InChIKey: KUBUQFFBRSHOMJ-UHFFFAOYSA-N
분자식: C14H16ClNO3
평균 분자량: 281.73 g/mol
단동위원소 질량: 281.08187105

이름 및 식별자

우선 이름: Benzyl 4-(chlorocarbonyl)piperidine-1-carboxylate
IUPAC: benzyl 4-carbonochloridoylpiperidine-1-carboxylate
현지명: 벤질4-(클로로카르보닐)테트라히드로-1(2H)-피리딘카르복실레이트
영어명: Benzyl 4-(chlorocarbonyl)tetrahydro-1(2H)-pyridinecarboxylate
분자식: C14H16ClNO3
분자량: 281.73

이름 및 동의어

10314-99-5Benzyl 4-(chlorocarbonyl)piperidine-1-carboxylateBenzyl 4-(chlorocarbonyl)tetrahydro-1(2H)-pyridinecarboxylateMFCD02677707benzyl 4-chlorocarbonylpiperidine-1-carboxylatebenzyl 4-carbonochloridoylpiperidine-1-carboxylate4-chlorocarbonyl-piperidine-1-carboxylic acid benzyl esterN-Cbz-piperidine-4-carbonyl Chloride1-CBZ-4-CHLOROCARBONYLPIPERIDINEPiperidine-4-carbonyl chloride, N-CBZ protectedBenzyl 4-(Carbonochloridoyl)Piperidine-1-CarboxylateSCHEMBL188053

이름 더 보기

벤질4-(클로로카르보닐)테트라히드로-1(2H)-피리딘카르복실레이트BUTTPARK 75\50-50BUTTPARK 43\57-10Benzyl 4-(chlorocarbonyl)piperidin-1-carboxylateBENZYL 3-(CHLOROCARBONYL)PIPERIDINE-1-CARBOXYLATE1-BENZYLOXYCARBONYLPIPERIDINE-3-CARBONYL CHLORIDE

DTXSID00379940KUBUQFFBRSHOMJ-UHFFFAOYSA-N1-Piperidinecarboxylic acid, 4-(chlorocarbonyl)-, phenylmethyl esterAB6166SBB067600AKOS015848522N-Benzyloxycarbonylisonipecotyl chlorideCS-10850

데이터베이스 식별자

CAS: 10314-99-5
PubChem CID: 2776270
DTXSID: DTXSID00379940
EC Number: 672-850-6

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 321

물리화학적 성질

끓는 점: 396.6 · 396.6±42.0 °C(Predicted)
밀도: 1.269 · 1.269±0.06 g/cm3(Predicted)
산도 계수 (pKa): -2.51 · -2.51±0.40(Predicted)
물리적 상태: 액체
색상: 진한 노란색
InChI: InChI=1S/C14H16ClNO3/c15-13(17)12-6-8-16(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKey: KUBUQFFBRSHOMJ-UHFFFAOYSA-N
SMILES: N1(C(OCC2=CC=CC=C2)=O)CCC(C(Cl)=O)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.