Methyl 1-Boc-4-(chloromethyl)piperidine-4-carboxylate

HCID 67410270

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1314319-01-1
표준 SMILES: COC(=O)C1(CCl)CCN(C(=O)OC(C)(C)C)CC1
InChIKey: XZPUEKMFNKEXIB-UHFFFAOYSA-N
분자식: C13H22ClNO4
평균 분자량: 291.77 g/mol

이름 및 식별자

우선 이름: Methyl 1-Boc-4-(chloromethyl)piperidine-4-carboxylate
IUPAC: 1-O-tert-butyl 4-O-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylate
영어명: 1-tert-butyl 4-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylate
분자식: C13H22ClNO4
분자량: 291.77

이름 및 동의어

1314319-01-1Methyl 1-Boc-4-(chloromethyl)piperidine-4-carboxylateRefChem:812689971-110-21-tert-butyl 4-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylateMFCD244713981-O-tert-butyl 4-O-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylateMethyl1-Boc-4-(chloromethyl)piperidine-4-carboxylate1-(tert-Butyl) 4-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylateSCHEMBL2443534XZPUEKMFNKEXIB-UHFFFAOYSA-NAC9115

이름 더 보기

1,4-PIPERIDINEDICARBOXYLIC ACID, 4-(CHLOROMETHYL)-, 1-(1,1-DIMETHYLETHYL) 4-METHYL ESTER

SY265354DB-191353EN300-12462461O1-tert-butyl O4-methyl 4-(chloromethyl)piperidine-1,4-dicarboxylate

데이터베이스 식별자

CAS: 1314319-01-1
PubChem CID: 67410270
EC Number: 971-110-2

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 343

물리화학적 성질

끓는 점: 357 · 357.0±27.0 °C(Predicted)
밀도: 1.152 · 1.152±0.06 g/cm3(Predicted)
산도 계수 (pKa): -2.83 · -2.83±0.40(Predicted)

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)

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