tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo(3.1.0)hexane-3-carboxylate

HCID 59444330

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1108172-95-7
표준 SMILES: CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CN
InChIKey: JHUZWJPECLTTFD-XHNCKOQMSA-N
분자식: C11H20N2O2
평균 분자량: 212.29 g/mol

이름 및 식별자

우선 이름: tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo(3.1.0)hexane-3-carboxylate
IUPAC: tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

이름 및 동의어

1108172-95-7tert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylatetert-butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo(3.1.0)hexane-3-carboxylateRefChem:891558959-321-8MFCD31696553(1S,2S,5R)-3-Boc-2-(aminomethyl)-3-azabicyclo[3.1.0]hexaneSCHEMBL1339459JHUZWJPECLTTFD-XHNCKOQMSA-NAT52363PS-20548SY324177

이름 더 보기

CS-0184924P18876EN300-6960358(1S,2S,5R)-2-Aminomethyl-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl esterREL-TERT-BUTYL (1S,2S,5R)-2-(AMINOMETHYL)-3-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLATEt-Butyl (1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylatetert-butyl(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

데이터베이스 식별자

CAS: 1108172-95-7
PubChem CID: 59444330
EC Number: 959-321-8

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 272

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.