tert-부틸4-(아미노메틸)-4-히드록시피페리딘-1-카르복실레이트

tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate

HCID 23396319

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 392331-66-7
표준 SMILES: CC(C)(C)OC(=O)N1CCC(O)(CN)CC1
InChIKey: XYWCDAFPRBDRER-UHFFFAOYSA-N
분자식: C11H22N2O3
평균 분자량: 230.3 g/mol
단동위원소 질량: 230.16304256

이름 및 식별자

우선 이름: tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
IUPAC: tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
현지명: tert-부틸4-(아미노메틸)-4-히드록시피페리딘-1-카르복실레이트
영어명: tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
분자식: C11H22N2O3
분자량: 230.3

이름 및 동의어

392331-66-7tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylateDTXSID50633589RefChem:383528DTXCID10584341810-622-11-Boc-4-(Aminomethyl)-4-hydroxypiperidineTERT-BUTYL 4-(AMINOMETHYL)-4-HYDROXYTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE1-Boc-4-aminomethyl-4-hydroxypiperidineMFCD115798034-(AMINOMETHYL)-1-BOC-4-HYDROXYPIPERIDINE4-AMINOMETHYL-1-BOC-PIPERIDIN-4-OL

이름 더 보기

tert-부틸4-(아미노메틸)-4-히드록시피페리딘-1-카르복실레이트4-Aminomethyl-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester1-Boc-4-(Aminomethyl)1-Boc-4-aMinoMethyl-4-hyd...4-Aminomethyl-1-Boc-4-hydroxypiperidine,97%4-AMinoMethyl-1-Boc-4-hydroxypiperidine, 97%tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate 95%1-Piperidinecarboxylic acid, 4-(aminomethyl)-4-hydroxy-, 1,1-dimethylethyl ester

tert-butyl 4-(aminomethyl)-4-hydroxy-piperidine-1-carboxylateSCHEMBL154164GC-0732SY027674A1-000331-Boc-4-(aminomethyl)-4-hydroxy-piperidineAM20100034XYWCDAFPRBDRER-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 392331-66-7
PubChem CID: 23396319
DTXSID: DTXSID50633589
EC Number: 810-622-1

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 75.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 252

물리화학적 성질

끓는 점: 341 · 341.0±27.0 °C(Predicted)
밀도: 1.124 · 1.124
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 12.48 · 12.48±0.20(Predicted)
물리적 상태: 고체
색상: 회백색
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-6-4-11(15,8-12)5-7-13/h15H,4-8,12H2,1-3H3
InChIKey: XYWCDAFPRBDRER-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(CN)(O)CC1

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.