(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate

HCID 2760898CAS 198989-07-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CC2CC1CN2
InChIKey: UXAWXZDXVOYLII-UHFFFAOYSA-N
분자식: C10H18N2O2
평균 분자량: 198.26 g/mol
단동위원소 질량: 198.13682782

개요

See also: N-Boc-2,5-diazabicyclo[2.2.1]heptane (annotation moved to).

이름 및 식별자

우선 이름: (1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate
IUPAC: tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

이름 및 동의어

(1S,4S)-tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylateRefChem:394209(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylate946-616-1198989-07-0Tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl esterN-Boc-2,5-diaza-bicyclo[2.2.1]heptane2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER2-Boc-2,5-diazabicyclo[2.2.1]heptane2,5-DIAZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTERMFCD06411671

이름 더 보기

trans-2-Boc-2,5-diazabicyclo[2.2.1]heptane(1S,4S)-N-Boc-2,5-diaza-bicyclo[2.2.1]heptane(1S,4S)-(-)-2-Boc-2,5-diazabicyclo[2.2.1]heptane2,5-DIAZABICYCLOSCHEMBL242023SCHEMBL648426(1S,4S)-N-(tert-Butoxycarbonyl)-2,5-diazabicyclo[2.2.1]heptaneSCHEMBL4733143

데이터베이스 식별자

CAS: 198989-07-0
PubChem CID: 2760898
DTXSID: DTXSID60375403
ChEMBL: CHEMBL5200084
EC Number: 946-616-1

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 247

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.