N-tert-부톡시카르보닐피롤-2-카르복스알데히드

1-Boc-2-Formylpyrrolidine

HCID 4227815

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 117625-90-8
표준 SMILES: CC(C)(C)OC(=O)N1CCCC1C=O
InChIKey: YDBPZCVWPFMBDH-UHFFFAOYSA-N
분자식: C10H17NO3
평균 분자량: 199.25 g/mol
단동위원소 질량: 199.1208434

이름 및 식별자

우선 이름: 1-Boc-2-Formylpyrrolidine
IUPAC: tert-butyl 2-formylpyrrolidine-1-carboxylate
현지명: N-tert-부톡시카르보닐피롤-2-카르복스알데히드
영어명: N-tert-Butoxycarbonylpyrrole-2-carboxaldehyde
분자식: C10H17NO3
분자량: 199.25

이름 및 동의어

1-Boc-2-Formylpyrrolidine117625-90-8DTXSID40401032RefChem:430064DTXCID00351887961-538-8tert-butyl 2-formylpyrrolidine-1-carboxylate2-Formyl-pyrrolidine-1-carboxylic acid tert-butyl esterMFCD03790896N-tert-Butoxycarbonylpyrrole-2-carboxaldehyde1-Boc-2-formyl-pyrrolidine1-Boc-pyrrolidine-2-carbaldehyde

이름 더 보기

N-tert-부톡시카르보닐피롤-2-카르복스알데히드N-Boc-2-FormylpyrrolidineN-tert-Butoxycarbonylpyrrole-2-carbaldehyde1,1-Dimethylethyl 2-formyl-1-pyrrolidinecarboxylate1-Pyrrolidinecarboxylicacid, 2-formyl-, 1,1-dimethylethyl es...1-Pyrrolidinecarboxylicacid, 2-formyl-, 1,1-dimethylethyl ester

Boc-D-prolinal59378-82-42-Formylpyrrolidine-1-carboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl esterSCHEMBL190173SCHEMBL5171011N-Boc-2-pyrrolidinecarboxaldehydeYDBPZCVWPFMBDH-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 117625-90-8
PubChem CID: 4227815
DTXSID: DTXSID40401032
EC Number: 961-538-8
Nikkaji: J876.208B

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 232

물리화학적 성질

끓는 점: 276 · 276 ºC
밀도: 1.148 · 1.148
인화점: 121 · 121 ºC
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): -3.03 · -3.03±0.40(Predicted)
InChI: InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-8H,4-6H2,1-3H3
InChIKey: YDBPZCVWPFMBDH-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCCC1C=O

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.